data_global _chemical_name_mineral 'Miargyrite' loop_ _publ_author_name 'Smith J V' 'Pluth J J' 'Han S' _journal_name_full 'Mineralogical Magazine' _journal_volume 61 _journal_year 1997 _journal_page_first 671 _journal_page_last 675 _publ_section_title ; Crystal structure refinement of miargyrite, AgSbS2 ; _database_code_amcsd 0014529 _chemical_formula_sum 'Ag Sb S2' _cell_length_a 12.824 _cell_length_b 4.4060 _cell_length_c 13.193 _cell_angle_alpha 90 _cell_angle_beta 98.567 _cell_angle_gamma 90 _cell_volume 737.121 _exptl_crystal_density_diffrn 5.294 _symmetry_space_group_name_H-M 'C 1 2 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,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 _atom_site_U_iso_or_equiv Ag1 0.00000 0.00000 0.00000 0.03540 Ag2 0.00000 0.94090 0.50000 0.03730 Ag3 0.00047 0.47000 0.24993 0.04480 Sb1 0.25543 0.93060 0.37660 0.02000 Sb2 0.74466 0.99980 0.12335 0.01930 S1 0.14338 0.31400 0.44958 0.01890 S2 0.85659 0.61440 0.05053 0.02050 S3 0.11168 0.14380 0.16765 0.02150 S4 0.88833 0.78530 0.33252 0.02410 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 Ag1 0.02580 0.04530 0.03310 0.00000 -0.00210 0.00000 Ag2 0.02490 0.04740 0.03820 0.00000 0.00080 0.00000 Ag3 0.03470 0.06150 0.04080 -0.01130 0.01430 0.01500 Sb1 0.02360 0.02120 0.01530 -0.00090 0.00370 -0.00100 Sb2 0.02320 0.01960 0.01520 -0.00010 0.00350 0.00020 S1 0.01840 0.02150 0.01690 0.00040 0.00290 -0.00190 S2 0.01840 0.02660 0.01640 -0.00080 0.00190 0.00220 S3 0.02130 0.02270 0.02180 0.00040 0.00750 -0.00050 S4 0.02190 0.02980 0.02180 0.00350 0.00760 0.00320