data_global _chemical_name_mineral 'Wallisite' loop_ _publ_author_name 'Boiocchi M' 'Callegari A' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 2003 _journal_year 2003 _journal_page_first 396 _journal_page_last 406 _publ_section_title ; Crystal structure refinement of a wallisite-hatchite solid solution ; _database_code_amcsd 0018394 _chemical_compound_source 'Binnatal, Switzerland' _chemical_formula_sum 'Pb Tl (Ag.35 Cu.65) As2 S5' _cell_length_a 9.0707 _cell_length_b 7.7868 _cell_length_c 8.0386 _cell_angle_alpha 65.828 _cell_angle_beta 65.047 _cell_angle_gamma 74.220 _cell_volume 466.255 _exptl_crystal_density_diffrn 5.704 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Pb1 0.59540 0.24730 0.46180 1.00000 0.02270 Tl1 0.12750 0.30690 0.14500 1.00000 0.04260 Ag1 0.08630 0.11420 0.75800 0.35000 0.04030 Cu1 0.08630 0.11420 0.75800 0.65000 0.04030 As1 0.19060 0.54460 0.38010 1.00000 0.01900 As2 0.36380 0.90080 0.96280 1.00000 0.01970 S1 0.54930 0.37030 0.82080 1.00000 0.02280 S2 0.24180 0.36930 0.65640 1.00000 0.02430 S3 0.41520 0.12920 0.29950 1.00000 0.02050 S4 0.08180 0.82190 0.42800 1.00000 0.02710 S5 0.17540 0.80130 0.92140 1.00000 0.02850 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 Pb1 0.02860 0.01790 0.02030 -0.00670 -0.00800 -0.00340 Tl1 0.04110 0.05900 0.03290 -0.01150 -0.01610 -0.01370 Ag1 0.04990 0.02570 0.04910 -0.00760 -0.03420 0.00320 Cu1 0.04990 0.02570 0.04910 -0.00760 -0.03420 0.00320 As1 0.02280 0.01770 0.01850 -0.00670 -0.00880 -0.00390 As2 0.02480 0.01740 0.01730 -0.00510 -0.00870 -0.00340 S1 0.02310 0.02250 0.01670 -0.00470 -0.00640 -0.00030 S2 0.02780 0.02750 0.01650 -0.00790 -0.00890 -0.00250 S3 0.02410 0.01810 0.01710 -0.00660 -0.00720 -0.00130 S4 0.02630 0.02190 0.03000 -0.00490 -0.00460 -0.01010 S5 0.02380 0.03880 0.02530 -0.01110 -0.00660 -0.01070