data_global _chemical_name_mineral 'Quatrandorite' loop_ _publ_author_name 'Nespolo M' 'Ozawa T' 'Kawasaki Y' 'Sugiyama K' _journal_name_full 'Journal of Mineralogical and Petrological Sciences' _journal_volume 107 _journal_year 2012 _journal_page_first 226 _journal_page_last 243 _publ_section_title ; Structural relations and pseudosymmetries in the andorite homologous series ; _database_code_amcsd 0019736 _chemical_compound_source 'Oura mine, San Jose, Bolivia' _chemical_formula_sum 'Ag Pb Sb3 S6' _cell_length_a 19.1686 _cell_length_b 17.160 _cell_length_c 13.042 _cell_angle_alpha 90 _cell_angle_beta 90.008 _cell_angle_gamma 90 _cell_volume 4289.947 _exptl_crystal_density_diffrn 5.405 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-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 0.35709 0.81311 0.84948 0.03080 Ag2 0.14280 0.17732 0.33615 0.06180 Ag3 0.35640 0.05251 0.82640 0.05630 Ag4 0.13216 0.93297 0.33294 0.04840 Pb1 0.24276 0.82487 0.57335 0.02370 Pb2 0.25023 0.30831 0.60330 0.03200 Pb3 0.25544 0.06872 0.58827 0.02820 Pb4 0.24888 0.93783 0.08883 0.03240 Sb1 0.12058 0.68987 0.34641 0.01630 Sb2 0.95572 0.30075 0.38704 0.01680 Sb3 0.44664 0.81586 0.12447 0.01640 Sb4 0.44792 0.18462 0.62519 0.01680 Sb5 0.05798 0.32777 0.13344 0.01510 Sb6 0.36327 0.19028 0.37208 0.01750 Sb7 0.14971 0.06736 0.87612 0.01810 Sb8 0.06031 0.06498 0.12385 0.01610 Sb9 0.37354 0.93441 0.35266 0.01790 Sb10 0.44131 0.92230 0.63262 0.02050 Sb11 0.04508 0.56303 0.11976 0.01610 Sb12 0.54567 0.94662 0.88204 0.02210 S1 0.39950 0.70240 0.02440 0.02090 S2 0.01590 0.19990 0.29320 0.01730 S3 0.10610 0.16920 0.00710 0.01750 S4 0.15480 0.79290 0.21710 0.01780 S5 0.09400 0.64880 0.99120 0.01880 S6 0.49580 0.83600 0.76530 0.02280 S7 0.17130 0.31290 0.21920 0.02150 S8 0.23360 0.69010 0.43550 0.02250 S9 0.40830 0.28820 0.50530 0.02150 S10 0.34150 0.18530 0.72760 0.02160 S11 0.24410 0.19530 0.45070 0.02160 S12 0.34050 0.82250 0.23870 0.02120 S13 0.09730 0.96240 0.00330 0.01740 S14 0.00310 0.40870 0.27280 0.01850 S115 0.34400 0.04030 0.22720 0.02020 S116 0.09770 0.44190 0.02800 0.01750 S117 0.15270 0.57680 0.23300 0.01680 S118 0.48240 0.04210 0.78100 0.02570 S119 0.25820 0.94460 0.42780 0.01910 S120 0.40100 0.91140 0.00310 0.02310 S121 0.40330 0.08150 0.50840 0.02070 S122 0.16370 0.05360 0.22780 0.01860 S123 0.26790 0.06330 0.95770 0.02670 S124 0.32850 0.92970 0.71440 0.02130 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 0.03220 0.02870 0.03130 -0.00720 0.00870 0.00000 Ag2 0.03780 0.06930 0.07820 0.01580 -0.03300 -0.03590 Ag3 0.04740 0.05660 0.06470 0.00840 0.03290 -0.00150 Ag4 0.05520 0.04980 0.04010 -0.02240 -0.00960 0.02130 Pb1 0.02870 0.01990 0.02250 -0.00090 0.00490 0.00080 Pb2 0.03010 0.03180 0.03410 -0.00720 -0.00080 -0.00100 Pb3 0.02900 0.02650 0.02910 -0.00090 0.00030 0.00240 Pb4 0.03590 0.02930 0.03190 -0.00910 -0.00430 0.00650 Sb1 0.01980 0.01590 0.01330 0.00060 0.00180 -0.00010 Sb2 0.01750 0.01520 0.01760 0.00110 0.00510 -0.00210 Sb3 0.01500 0.01510 0.01910 0.00150 0.00020 -0.00120 Sb4 0.01200 0.01840 0.02000 0.00030 0.00010 0.00090 Sb5 0.01430 0.01330 0.01770 0.00110 0.00380 -0.00140 Sb6 0.01760 0.01490 0.02000 0.00150 -0.00160 -0.00150 Sb7 0.02100 0.01360 0.01980 -0.00010 0.00440 -0.00050 Sb8 0.01440 0.01720 0.01680 0.00020 0.00250 -0.00230 Sb9 0.01660 0.02130 0.01570 0.00040 0.00210 -0.00120 Sb10 0.01580 0.02430 0.02130 0.00370 0.00320 0.00490 Sb11 0.01690 0.01480 0.01670 -0.00220 0.00210 0.00020 Sb12 0.02090 0.02220 0.02310 0.00600 0.00090 0.00310 S1 0.02300 0.01800 0.02200 -0.00410 0.00000 -0.00570 S2 0.01600 0.01500 0.02100 0.00010 0.00360 -0.00210 S3 0.02000 0.01310 0.02000 0.00220 0.00080 0.00140 S4 0.01400 0.01800 0.02200 -0.00220 0.00260 -0.00200 S5 0.01900 0.01600 0.02200 -0.00080 0.00250 0.00440 S6 0.02400 0.01200 0.03300 0.00180 -0.01100 -0.00200 S7 0.01300 0.02300 0.02800 0.00190 0.00240 0.00220 S8 0.02500 0.02300 0.02000 0.00100 -0.00340 -0.00470 S9 0.01900 0.01500 0.03000 -0.00070 -0.00100 0.00470 S10 0.01800 0.02400 0.02300 0.00130 0.00130 -0.00020 S11 0.01900 0.02100 0.02400 -0.00070 -0.00060 0.00210 S12 0.02300 0.02400 0.01700 -0.00500 0.00600 -0.00620 S13 0.01600 0.01460 0.02100 -0.00250 0.00170 -0.00400 S14 0.02100 0.01060 0.02400 -0.00110 0.00930 0.00030 S115 0.01900 0.02200 0.02000 -0.00010 -0.00130 0.00210 S116 0.02100 0.01340 0.01800 0.00150 0.00560 0.00070 S117 0.01700 0.02100 0.01200 -0.00220 -0.00120 -0.00180 S118 0.02100 0.01600 0.03900 0.00190 -0.00500 0.00500 S119 0.01700 0.02200 0.01900 0.00160 0.00570 0.00270 S120 0.02800 0.02000 0.02100 0.00230 0.00000 0.00360 S121 0.01900 0.01700 0.02600 0.00110 0.00000 -0.00420 S122 0.01500 0.02000 0.02100 0.00260 0.00030 0.00080 S123 0.02200 0.02000 0.03800 -0.00200 0.01000 -0.00100 S124 0.01700 0.02500 0.02300 0.00100 -0.00040 -0.00350