data_global _chemical_name_mineral 'Cohenite' loop_ _publ_author_name 'Shimura S' _journal_name_full 'Proceedings of the Japan Academy' _journal_volume 6 _journal_year 1930 _journal_page_first 269 _journal_page_last 271 _publ_section_title ; A study on the structure of cementite _cod_database_code 1010931 ; _database_code_amcsd 0017653 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Fe2 C' _cell_length_a 4.511 _cell_length_b 5.046 _cell_length_c 6.738 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 153.374 _exptl_crystal_density_diffrn 10.715 _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 0.20500 0.19870 0.00000 Fe2 0.05500 0.43250 0.31560 C 0.18100 0.41500 0.00000