data_global
_chemical_name_mineral 'Cohenite'
loop_
_publ_author_name
'Lyashchenko B G'
'Sorokin L M'
_journal_name_full 'Soviet Physics Crystallography'
_journal_volume 8 
_journal_year 1963
_journal_page_first 300
_journal_page_last 304
_publ_section_title
;
 Determination of the position of carbon in cementite by the neutron diffraction method
;
_database_code_amcsd 0019132
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe3 C'
_cell_length_a 4.525
_cell_length_b 5.088
_cell_length_c 6.74
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 155.176
_exptl_crystal_density_diffrn      7.686
_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   0.04000   0.35400   0.25000