data_global
_chemical_name_mineral 'Cohenite'
loop_
_publ_author_name
'Lipson H'
'Petch N J'
_journal_name_full 'The Journal of the Iron and Steel Institute'
_journal_volume 142 
_journal_year 1940
_journal_page_first 95
_journal_page_last 103
_publ_section_title
;
 The crystal structure of cementite, Fe3C
;
_database_code_amcsd 0019095
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe3 C'
_cell_length_a 4.5144
_cell_length_b 5.0787
_cell_length_c 6.7297
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 154.294
_exptl_crystal_density_diffrn      7.729
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1   0.33300   0.18300   0.06500
Fe2   0.16700   0.04000   0.25000
C   0.47000   0.14000   0.25000