data_global _chemical_name_mineral 'Cohenite' loop_ _publ_author_name 'Fasiska E J' 'Jeffery G A' _journal_name_full 'Acta Crystallographica' _journal_volume 19 _journal_year 1965 _journal_page_first 463 _journal_page_last 471 _publ_section_title ; On the cementite structure ; _database_code_amcsd 0019129 _chemical_formula_sum '(Fe2.7 Mn.3) C' _cell_length_a 5.0598 _cell_length_b 6.7462 _cell_length_c 4.5074 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 153.857 _exptl_crystal_density_diffrn 7.740 _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 _atom_site_occupancy FeG 0.18160 0.06660 0.33740 0.90000 MnG 0.18160 0.06660 0.33740 0.10000 FeS 0.03670 0.25000 0.84020 0.90000 MnS 0.03670 0.25000 0.84020 0.10000 C 0.87700 0.25000 0.44400 1.00000 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 FeG 0.00100 0.00270 0.00480 0.00000 0.00090 0.00020 MnG 0.00100 0.00270 0.00480 0.00000 0.00090 0.00020 FeS 0.00270 0.00260 0.00540 0.00000 0.00010 0.00000 MnS 0.00270 0.00260 0.00540 0.00000 0.00010 0.00000 C 0.03500 0.00500 0.02200 0.00000 0.00400 0.00000