data_global _chemical_name_mineral 'Cohenite' loop_ _publ_author_name 'Herbstein F H' 'Smuts J' _journal_name_full 'Acta Crystallographica' _journal_volume 17 _journal_year 1964 _journal_page_first 1331 _journal_page_last 1332 _publ_section_title ; Comparison of X-ray and neutron-diffraction refinements of the structure of cementite Fe3C ; _database_code_amcsd 0019097 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe3 C' _cell_length_a 5.090 _cell_length_b 6.748 _cell_length_c 4.523 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 155.353 _exptl_crystal_density_diffrn 7.677 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fed 0.18600 0.06300 0.32800 Fec 0.03600 0.25000 0.85200 C 0.89000 0.25000 0.45000