data_global
_chemical_name_mineral 'Graphite'
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: gra_crbl33_ch
;
_database_code_amcsd 0013979
_chemical_formula_sum 'C'
_cell_length_a 4.575
_cell_length_b 5.304
_cell_length_c 5.635
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 136.738
_exptl_crystal_density_diffrn      2.334
_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   0.11040   0.23710
C2   0.25000   0.00000   0.12750