data_global _chemical_name_mineral 'Samsonite' loop_ _publ_author_name 'Bindi L' 'Evain M' _journal_name_full 'American Mineralogist' _journal_volume 92 _journal_year 2007 _journal_page_first 886 _journal_page_last 891 _publ_section_title ; Gram-Charlier development of the atomic displacement factors into mineral structures: The case of samsonite, Ag4MnSb2S6 Sample: T = 400 K, refined using Gram-Charlier displacement factors ; _database_code_amcsd 0004360 _chemical_compound_source 'St. Andreasberg, Hartz Mountains, Germany' _chemical_formula_sum 'Ag4 Mn Sb2 S6' _cell_length_a 10.3838 _cell_length_b 8.1364 _cell_length_c 6.6737 _cell_angle_alpha 90 _cell_angle_beta 92.640 _cell_angle_gamma 90 _cell_volume 563.241 _exptl_crystal_density_diffrn 5.438 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+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_U_iso_or_equiv Ag1 0.30550 0.25070 0.57230 0.05970 Ag2 0.50010 0.96470 0.76220 0.08220 Mn 0.00000 0.00000 0.50000 0.02200 Sb 0.18327 0.16638 0.03790 0.02142 S1 0.09021 0.26934 0.34277 0.02220 S2 0.51847 0.67407 0.67019 0.02140 S3 0.26330 0.42261 -0.10990 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 0.04250 0.09820 0.03920 -0.02630 0.01010 -0.01060 Ag2 0.14040 0.04140 0.06470 -0.04550 0.00510 -0.01420 Mn 0.02080 0.02390 0.02140 0.00000 0.00060 0.00020 Sb 0.02068 0.02229 0.02127 0.00301 0.00091 0.00066 S1 0.02640 0.02110 0.01920 0.00120 0.00260 0.00210 S2 0.02090 0.02410 0.01900 0.00130 0.00050 0.00250 S3 0.02090 0.02250 0.02880 -0.00400 -0.00040 0.00190