data_global _chemical_name_mineral 'Sternbergite' loop_ _publ_author_name 'Pertlik F' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1987 _journal_year 1987 _journal_page_first 458 _journal_page_last 464 _publ_section_title ; Crystal structure of sternbergite, AgFe2S3 ; _database_code_amcsd 0014818 _chemical_compound_source 'Medenec, Krusne hory Mts, Czechoslovakia' _chemical_formula_sum 'Ag Fe2 S3' _cell_length_a 6.615 _cell_length_b 11.639 _cell_length_c 12.693 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 977.259 _exptl_crystal_density_diffrn 4.292 _symmetry_space_group_name_H-M 'C c m b' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '1/2-x,y,1/2+z' '-x,1/2+y,1/2+z' '1/2+x,-y,1/2-z' '+x,1/2-y,1/2-z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '1/2+x,y,1/2-z' '+x,1/2+y,1/2-z' '1/2-x,-y,1/2+z' '-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ag 0.85310 0.00000 0.69960 Fe 0.83350 0.33510 0.56350 S1 0.69520 0.00000 0.88000 S2 0.66580 0.17860 0.61790 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 Ag 0.02830 0.02480 0.05960 0.00000 0.00830 0.00000 Fe 0.01860 0.00870 0.02610 0.00100 0.00170 0.00040 S1 0.03230 0.00990 0.04400 0.00000 -0.00890 0.00000 S2 0.02240 0.01420 0.03400 -0.00410 -0.00080 0.00410