data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Wyckoff R W G'
_journal_name_full 'Crystal Structures'
_journal_volume 1 
_journal_year 1963
_journal_page_first 7
_journal_page_last 83
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_database_code_amcsd 0011242
_chemical_formula_sum 'C'
_cell_length_a 3.56679
_cell_length_b 3.56679
_cell_length_c 3.56679
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.377
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Hom T'
'Kiszenick W'
'Post B'
_journal_name_full 'Journal of Applied Crystallography'
_journal_volume 8 
_journal_year 1975
_journal_page_first 457
_journal_page_last 458
_publ_section_title
;
 Accurate lattice constants from multiple reflection mesurements II.
 lattice constants of germanium, silicon and diamond
 Sample: at T = 25 C
;
_database_code_amcsd 0012842
_chemical_compound_source 'unknown'
_chemical_formula_sum 'C'
_cell_length_a 3.566986
_cell_length_b 3.566986
_cell_length_c 3.55986
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.293
_exptl_crystal_density_diffrn      3.523
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Fayos J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 148 
_journal_year 1999
_journal_page_first 278
_journal_page_last 285
_publ_section_title
;
 Possible 3D carbon structures as progressive intermediates in graphite
 to diamond phase transition
 Note: mathematical model, phase: diam_cr43_ch
;
_database_code_amcsd 0013983
_chemical_formula_sum 'C'
_cell_length_a 4.964
_cell_length_b 5.163
_cell_length_c 4.387
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 112.435
_exptl_crystal_density_diffrn      2.838
_symmetry_space_group_name_H-M 'C m m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '1/2+x,-y,z'
  '+x,1/2-y,z'
  '1/2-x,y,-z'
  '-x,1/2+y,-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,z'
  '-x,1/2-y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1   0.00000   0.08550   0.34430
C2   0.25000   0.00000   0.16990

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Fayos J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 148 
_journal_year 1999
_journal_page_first 278
_journal_page_last 285
_publ_section_title
;
 Possible 3D carbon structures as progressive intermediates in graphite
 to diamond phase transition
 Note: mathematical model, phase: diam_cr43_bo
;
_database_code_amcsd 0013984
_chemical_formula_sum 'C'
_cell_length_a 4.870
_cell_length_b 5.565
_cell_length_c 4.406
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 119.409
_exptl_crystal_density_diffrn      2.672
_symmetry_space_group_name_H-M 'C m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,y,-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '1/2-x,1/2-y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1   0.00000   0.14200   0.32600
C2   0.25000   0.00000   0.17040

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Fayos J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 148 
_journal_year 1999
_journal_page_first 278
_journal_page_last 285
_publ_section_title
;
 Possible 3D carbon structures as progressive intermediates in graphite
 to diamond phase transition
 Note: mathematical model, phase: diam_cr44_ch
;
_database_code_amcsd 0013985
_chemical_formula_sum 'C'
_cell_length_a 4.127
_cell_length_b 4.937
_cell_length_c 4.819
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 98.187
_exptl_crystal_density_diffrn      3.250
_symmetry_space_group_name_H-M 'P b a n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2+y,-z'
  '-x,-y,z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1   0.02570   0.13870   0.33760
C2   0.33120   0.16440   0.18710

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Fayos J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 148 
_journal_year 1999
_journal_page_first 278
_journal_page_last 285
_publ_section_title
;
 Possible 3D carbon structures as progressive intermediates in graphite
 to diamond phase transition
 Note: mathematical model, phase: diam_cr44_ch
;
_database_code_amcsd 0013986
_chemical_formula_sum 'C'
_cell_length_a 4.591
_cell_length_b 4.591
_cell_length_c 4.591
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 96.766
_exptl_crystal_density_diffrn      3.298
_symmetry_space_group_name_H-M 'I a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+z,x,1/2-y'
  '+z,1/2+x,-y'
  '1/2+z,-x,y'
  '+z,1/2-x,1/2+y'
  '-z,x,1/2+y'
  '1/2-z,1/2+x,+y'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '-y,1/2-z,x'
  '1/2-y,-z,1/2+x'
  '1/2-y,z,-x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '1/2-z,x,-y'
  '-z,1/2+x,1/2-y'
  'z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '1/2-y,1/2+z,x'
  '-y,+z,1/2+x'
  'y,1/2+z,-x'
  '1/2+y,+z,1/2-x'
  '1/2+y,-z,x'
  '+y,1/2-z,1/2+x'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.16250   0.16250   0.16250

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Fayos J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 148 
_journal_year 1999
_journal_page_first 278
_journal_page_last 285
_publ_section_title
;
 Possible 3D carbon structures as progressive intermediates in graphite
 to diamond phase transition
 Note: mathematical model, phase: diam_cr44_ch*; optimized without
 VDW terms
;
_database_code_amcsd 0013987
_chemical_formula_sum 'C'
_cell_length_a 4.261
_cell_length_b 4.261
_cell_length_c 4.261
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 77.363
_exptl_crystal_density_diffrn      4.125
_symmetry_space_group_name_H-M 'I a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2+z,x,1/2-y'
  '+z,1/2+x,-y'
  '1/2+z,-x,y'
  '+z,1/2-x,1/2+y'
  '-z,x,1/2+y'
  '1/2-z,1/2+x,+y'
  '-z,-x,-y'
  '1/2-z,1/2-x,1/2-y'
  '1/2+y,1/2-z,-x'
  '+y,-z,1/2-x'
  '-y,1/2-z,x'
  '1/2-y,-z,1/2+x'
  '1/2-y,z,-x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  '1/2+y,1/2+z,1/2+x'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,1/2+y,-z'
  '1/2+x,+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2-x,+y'
  '1/2-z,x,-y'
  '-z,1/2+x,1/2-y'
  'z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2+z,1/2+x,1/2+y'
  '1/2-y,1/2+z,x'
  '-y,+z,1/2+x'
  'y,1/2+z,-x'
  '1/2+y,+z,1/2-x'
  '1/2+y,-z,x'
  '+y,1/2-z,1/2+x'
  '-y,-z,-x'
  '1/2-y,1/2-z,1/2-x'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,-z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,1/2-y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.15670   0.15670   0.15670

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Fayos J'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 148 
_journal_year 1999
_journal_page_first 278
_journal_page_last 285
_publ_section_title
;
 Possible 3D carbon structures as progressive intermediates in graphite
 to diamond phase transition
 Note: mathematical model, phase: diamond(cub)
;
_database_code_amcsd 0013991
_chemical_formula_sum 'C'
_cell_length_a 3.567
_cell_length_b 3.567
_cell_length_c 3.567
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.385
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 10 C
 Note: Diamond #1, lattice parameter is average of three runs
;
_database_code_amcsd 0014081
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56669
_cell_length_b 3.56669
_cell_length_c 3.56669
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.373
_exptl_crystal_density_diffrn      3.517
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 20 C
 Note: Diamond #1, lattice parameter is average of three runs
;
_database_code_amcsd 0014082
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56672
_cell_length_b 3.56672
_cell_length_c 3.56672
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.374
_exptl_crystal_density_diffrn      3.517
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 30 C
 Note: Diamond #1, lattice parameter is average of three runs
;
_database_code_amcsd 0014083
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56678
_cell_length_b 3.56678
_cell_length_c 3.56678
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.376
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 40 C
 Note: Diamond #1, lattice parameter is average of three runs
;
_database_code_amcsd 0014084
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56684
_cell_length_b 3.56684
_cell_length_c 3.56684
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.379
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 50 C
 Note: Diamond #1, lattice parameter is average of three runs
;
_database_code_amcsd 0014085
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56690
_cell_length_b 3.56690
_cell_length_c 3.56690
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.381
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 10 C
 Note: white boart
;
_database_code_amcsd 0014086
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56670
_cell_length_b 3.56670
_cell_length_c 3.56670
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.373
_exptl_crystal_density_diffrn      3.517
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 20 C
 Note: white boart
;
_database_code_amcsd 0014087
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56674
_cell_length_b 3.56674
_cell_length_c 3.56674
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.375
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 30 C
 Note: white boart
;
_database_code_amcsd 0014088
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56675
_cell_length_b 3.56675
_cell_length_c 3.56675
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.375
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 40 C
 Note: white boart
;
_database_code_amcsd 0014089
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56683
_cell_length_b 3.56683
_cell_length_c 3.56683
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.378
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 50 C
 Note: white boart
;
_database_code_amcsd 0014090
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56689
_cell_length_b 3.56689
_cell_length_c 3.56689
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.380
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 10 C
 Note: grey boart
;
_database_code_amcsd 0014091
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56680
_cell_length_b 3.56680
_cell_length_c 3.56680
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.377
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 20 C
 Note: grey boart
;
_database_code_amcsd 0014092
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56680
_cell_length_b 3.56680
_cell_length_c 3.56680
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.377
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 30 C
 Note: grey boart
;
_database_code_amcsd 0014093
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56684
_cell_length_b 3.56684
_cell_length_c 3.56684
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.379
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 40 C
 Note: grey boart
;
_database_code_amcsd 0014094
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56689
_cell_length_b 3.56689
_cell_length_c 3.56689
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.380
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 50 C
 Note: grey boart
;
_database_code_amcsd 0014095
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56700
_cell_length_b 3.56700
_cell_length_c 3.56700
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.385
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 10 C
 Note: Diamond #2
;
_database_code_amcsd 0014096
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56670
_cell_length_b 3.56670
_cell_length_c 3.56670
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.373
_exptl_crystal_density_diffrn      3.517
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 20 C
 Note: Diamond #2
;
_database_code_amcsd 0014097
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56678
_cell_length_b 3.56678
_cell_length_c 3.56678
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.376
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 30 C
 Note: Diamond #2
;
_database_code_amcsd 0014098
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56678
_cell_length_b 3.56678
_cell_length_c 3.56678
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.376
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 40 C
 Note: Diamond #2
;
_database_code_amcsd 0014099
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56683
_cell_length_b 3.56683
_cell_length_c 3.56683
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.378
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Straumanis M E'
'Aka E Z'
_journal_name_full 'Journal of the American Chemical Society'
_journal_volume 73 
_journal_year 1951
_journal_page_first 5643
_journal_page_last 5646
_publ_section_title
;
 Precision determination of lattice parameter, coefficient of thermal expansion
 and atomic weight of carbon in diamond
 Sample: at T = 50 C
 Note: Diamond #2
;
_database_code_amcsd 0014100
_chemical_compound_source 'Belgian Congo'
_chemical_formula_sum 'C'
_cell_length_a 3.56690
_cell_length_b 3.56690
_cell_length_c 3.56690
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.381
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000

data_global
_chemical_name_mineral 'Diamond'
loop_
_publ_author_name
'Riley D P'
_journal_name_full 'Nature'
_journal_volume 153 
_journal_year 1944
_journal_page_first 587
_journal_page_last 588
_publ_section_title
;
 Lattice constant of diamond and the C-C single bond
 Sample: at T = 18 C
;
_database_code_amcsd 0014673
_chemical_compound_source 'commercial diamond dust sieved to obtain small crystals'
_chemical_formula_sum 'C'
_cell_length_a 3.56679
_cell_length_b 3.56679
_cell_length_c 3.56679
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 45.377
_exptl_crystal_density_diffrn      3.516
_symmetry_space_group_name_H-M 'F d 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '3/4+z,3/4-x,1/4+y'
  '3/4+z,1/4-x,3/4+y'
  '1/4+z,3/4-x,3/4+y'
  '1/4+z,1/4-x,1/4+y'
  '-y,1/2+z,1/2-x'
  '-y,+z,-x'
  '1/2-y,1/2+z,-x'
  '1/2-y,+z,1/2-x'
  '3/4+x,3/4-y,1/4+z'
  '3/4+x,1/4-y,3/4+z'
  '1/4+x,3/4-y,3/4+z'
  '1/4+x,1/4-y,1/4+z'
  '-z,1/2+x,1/2-y'
  '-z,+x,-y'
  '1/2-z,1/2+x,-y'
  '1/2-z,+x,1/2-y'
  '3/4+y,3/4-z,1/4+x'
  '3/4+y,1/4-z,3/4+x'
  '1/4+y,3/4-z,3/4+x'
  '1/4+y,1/4-z,1/4+x'
  '-x,1/2+y,1/2-z'
  '-x,+y,-z'
  '1/2-x,1/2+y,-z'
  '1/2-x,+y,1/2-z'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  '+x,-z,-y'
  '+x,1/2-z,1/2-y'
  '3/4-z,3/4+y,1/4+x'
  '3/4-z,1/4+y,3/4+x'
  '1/4-z,3/4+y,3/4+x'
  '1/4-z,1/4+y,1/4+x'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  '+y,-x,-z'
  '+y,1/2-x,1/2-z'
  '3/4-x,3/4+z,1/4+y'
  '3/4-x,1/4+z,3/4+y'
  '1/4-x,3/4+z,3/4+y'
  '1/4-x,1/4+z,1/4+y'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  '+z,-y,-x'
  '+z,1/2-y,1/2-x'
  '3/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/4-y,3/4+x,3/4+z'
  '1/4-y,1/4+x,1/4+z'
  'x,1/2+z,1/2+y'
  'x,+z,+y'
  '1/2+x,1/2+z,+y'
  '1/2+x,+z,1/2+y'
  '1/4-z,3/4-y,3/4-x'
  '1/4-z,1/4-y,1/4-x'
  '3/4-z,3/4-y,1/4-x'
  '3/4-z,1/4-y,3/4-x'
  'y,1/2+x,1/2+z'
  'y,+x,+z'
  '1/2+y,1/2+x,+z'
  '1/2+y,+x,1/2+z'
  '1/4-x,3/4-z,3/4-y'
  '1/4-x,1/4-z,1/4-y'
  '3/4-x,3/4-z,1/4-y'
  '3/4-x,1/4-z,3/4-y'
  'z,1/2+y,1/2+x'
  'z,+y,+x'
  '1/2+z,1/2+y,+x'
  '1/2+z,+y,1/2+x'
  '1/4-y,3/4-x,3/4-z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,1/4-z'
  '3/4-y,1/4-x,3/4-z'
  '3/4+z,1/4+x,3/4-y'
  '3/4+z,3/4+x,1/4-y'
  '1/4+z,1/4+x,1/4-y'
  '1/4+z,3/4+x,3/4-y'
  '-y,1/2-z,1/2+x'
  '-y,-z,+x'
  '1/2-y,1/2-z,+x'
  '1/2-y,-z,1/2+x'
  '3/4+x,1/4+y,3/4-z'
  '3/4+x,3/4+y,1/4-z'
  '1/4+x,1/4+y,1/4-z'
  '1/4+x,3/4+y,3/4-z'
  '-z,1/2-x,1/2+y'
  '-z,-x,+y'
  '1/2-z,1/2-x,+y'
  '1/2-z,-x,1/2+y'
  '3/4+y,1/4+z,3/4-x'
  '3/4+y,3/4+z,1/4-x'
  '1/4+y,1/4+z,1/4-x'
  '1/4+y,3/4+z,3/4-x'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
  '1/4-z,3/4+x,3/4+y'
  '1/4-z,1/4+x,1/4+y'
  '3/4-z,3/4+x,1/4+y'
  '3/4-z,1/4+x,3/4+y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  '1/4-x,3/4+y,3/4+z'
  '1/4-x,1/4+y,1/4+z'
  '3/4-x,3/4+y,1/4+z'
  '3/4-x,1/4+y,3/4+z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  '1/4-y,3/4+z,3/4+x'
  '1/4-y,1/4+z,1/4+x'
  '3/4-y,3/4+z,1/4+x'
  '3/4-y,1/4+z,3/4+x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,1/2+z,-y'
  '1/2-x,+z,1/2-y'
  '-x,1/2+z,1/2-y'
  '-x,+z,-y'
  '1/4+z,3/4-y,3/4+x'
  '1/4+z,1/4-y,1/4+x'
  '3/4+z,3/4-y,1/4+x'
  '3/4+z,1/4-y,3/4+x'
  '1/2-y,1/2+x,-z'
  '1/2-y,+x,1/2-z'
  '-y,1/2+x,1/2-z'
  '-y,+x,-z'
  '1/4+x,3/4-z,3/4+y'
  '1/4+x,1/4-z,1/4+y'
  '3/4+x,3/4-z,1/4+y'
  '3/4+x,1/4-z,3/4+y'
  '1/2-z,1/2+y,-x'
  '1/2-z,+y,1/2-x'
  '-z,1/2+y,1/2-x'
  '-z,+y,-x'
  '1/4+y,3/4-x,3/4+z'
  '1/4+y,1/4-x,1/4+z'
  '3/4+y,3/4-x,1/4+z'
  '3/4+y,1/4-x,3/4+z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '3/4+z,3/4+y,1/4-x'
  '3/4+z,1/4+y,3/4-x'
  '1/4+z,3/4+y,3/4-x'
  '1/4+z,1/4+y,1/4-x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  '3/4+x,3/4+z,1/4-y'
  '3/4+x,1/4+z,3/4-y'
  '1/4+x,3/4+z,3/4-y'
  '1/4+x,1/4+z,1/4-y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '3/4+y,3/4+x,1/4-z'
  '3/4+y,1/4+x,3/4-z'
  '1/4+y,3/4+x,3/4-z'
  '1/4+y,1/4+x,1/4-z'
  '1/4-z,1/4-x,1/4-y'
  '1/4-z,3/4-x,3/4-y'
  '3/4-z,1/4-x,3/4-y'
  '3/4-z,3/4-x,1/4-y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4-x,1/4-y,1/4-z'
  '1/4-x,3/4-y,3/4-z'
  '3/4-x,1/4-y,3/4-z'
  '3/4-x,3/4-y,1/4-z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '1/4-y,1/4-z,1/4-x'
  '1/4-y,3/4-z,3/4-x'
  '3/4-y,1/4-z,3/4-x'
  '3/4-y,3/4-z,1/4-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C   0.00000   0.00000   0.00000