data_global
_chemical_name_mineral 'Graphite'
loop_
_publ_author_name
'Trucano P'
'Chen R'
_journal_name_full 'Nature'
_journal_volume 258 
_journal_year 1975
_journal_page_first 136
_journal_page_last 137
_publ_section_title
;
 Structure of graphite by neutron diffraction
 Note: natural crystals
;
_database_code_amcsd 0014675
_chemical_compound_source 'undefined'
_chemical_formula_sum 'C'
_cell_length_a 2.464
_cell_length_b 2.464
_cell_length_c 6.711
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 35.286
_exptl_crystal_density_diffrn      2.261
_symmetry_space_group_name_H-M 'P 63/m m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x,x-y,1/2-z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  'y,x,-z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x+y,y,1/2-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x,-x+y,-z'
  'x-y,x,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,-x,1/2-z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
  'x-y,-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1   0.00000   0.00000   0.25000
C2   0.33333   0.66667   0.25000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
C1 0.00310 0.00310 0.01600 0.00155 0.00000 0.00000
C2 0.00310 0.00310 0.01700 0.00155 0.00000 0.00000