data_global _chemical_name_mineral 'Wakabayashilite' loop_ _publ_author_name 'Bonazzi P' 'Lampronti G I' 'Bindi L' 'Zandari S' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 1108 _journal_page_last 1114 _publ_section_title ; Wakabayashilite, [(As,Sb)6S9][As4S5]: crystal structure, psuedosymmetry, twinning, and revised chemical formula Sample: White Caps Mine, Nevada ; _chemical_formula_sum 'As9.3 Sb.7 S14' _cell_length_a 25.262 _cell_length_b 14.563 _cell_length_c 6.492 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2388.345 _exptl_crystal_density_diffrn 3.423 _symmetry_space_group_name_H-M 'P n a 21' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,1/2+z' '-x,-y,1/2+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 As1 0.46940 0.27980 0.25100 0.79000 0.04100 Sb1 0.46940 0.27980 0.25100 0.21000 0.04100 As2 0.43980 0.22070 0.74450 1.00000 0.04160 As3 0.37520 0.43550 0.74950 0.81000 0.03900 Sb3 0.37520 0.43550 0.74950 0.19000 0.03900 As4 0.33090 0.45030 0.24270 0.98000 0.03800 Sb4 0.33090 0.45030 0.24270 0.02000 0.03800 As5 0.09480 0.15600 0.75080 0.81000 0.04000 Sb5 0.09480 0.15600 0.75080 0.19000 0.04000 As6 0.10980 0.22950 0.24380 0.91000 0.04200 Sb6 0.10980 0.22950 0.24380 0.09000 0.04200 As7 0.32890 0.01670 0.75800 1.00000 0.07100 As8 0.29640 0.11140 0.43200 1.00000 0.07900 As9 0.21290 0.36140 0.83390 1.00000 0.03870 As10 0.07700 0.49730 0.84300 1.00000 0.06400 S1 0.49460 0.17380 0.99700 1.00000 0.04600 S2 0.00110 0.32180 0.49400 1.00000 0.04100 S3 0.45890 0.37460 0.74500 1.00000 0.04700 S4 0.33930 0.33710 0.99500 1.00000 0.03900 S5 0.33440 0.34510 0.49700 1.00000 0.04600 S6 0.41690 0.49700 0.24700 1.00000 0.04700 S7 0.16230 0.16010 0.99800 1.00000 0.03700 S8 0.16070 0.16830 0.50000 1.00000 0.04700 S9 0.04310 0.12250 0.24300 1.00000 0.04400 S10 0.25280 0.00200 0.26000 1.00000 0.05800 S11 0.20770 0.38020 0.17900 1.00000 0.05000 S12 0.12670 0.37790 0.72300 1.00000 0.04600 S13 0.08760 0.49870 0.18900 1.00000 0.05800 S14 0.37260 0.12090 0.25600 1.00000 0.05000 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 As1 0.03600 0.04900 0.03700 -0.00500 0.00000 0.00400 Sb1 0.03600 0.04900 0.03700 -0.00500 0.00000 0.00400 As2 0.03400 0.05000 0.04100 0.00500 -0.00100 -0.00300 As3 0.03100 0.05300 0.03300 0.00200 0.00400 0.00100 Sb3 0.03100 0.05300 0.03300 0.00200 0.00400 0.00100 As4 0.03800 0.04600 0.03200 0.00000 0.00400 -0.00100 Sb4 0.03800 0.04600 0.03200 0.00000 0.00400 -0.00100 As5 0.04100 0.04700 0.03400 -0.00400 0.00200 0.00800 Sb5 0.04100 0.04700 0.03400 -0.00400 0.00200 0.00800 As6 0.03600 0.05200 0.03700 0.00100 0.00200 0.00200 Sb6 0.03600 0.05200 0.03700 0.00100 0.00200 0.00200 As7 0.07400 0.07600 0.06200 -0.02400 0.01300 -0.01800 As8 0.04400 0.07100 0.12200 -0.01000 0.01600 -0.02300 As9 0.03900 0.04500 0.03200 -0.00500 -0.00100 -0.00400 As10 0.05400 0.06100 0.07600 0.00200 0.02100 0.00500 S1 0.04100 0.06800 0.02900 0.00500 -0.00400 -0.00500 S2 0.03600 0.05100 0.03600 -0.00100 -0.00200 0.00400 S3 0.03900 0.04100 0.06000 0.00300 -0.00120 0.00100 S4 0.03300 0.05300 0.03200 -0.00600 0.00600 0.00500 S5 0.05000 0.04600 0.04300 -0.01300 -0.00400 0.00400 S6 0.03800 0.04100 0.06200 0.00200 -0.01400 -0.00800 S7 0.03200 0.03800 0.04100 -0.00600 0.00100 -0.00200 S8 0.03200 0.06800 0.04100 0.00800 0.00100 -0.01200 S9 0.03700 0.03900 0.05500 0.00200 0.00500 -0.00400 S10 0.04800 0.06700 0.06000 0.00400 0.00500 0.01500 S11 0.04700 0.04800 0.05400 0.00300 -0.00500 0.00700 S12 0.04600 0.03300 0.05800 0.00700 -0.00800 -0.01100 S13 0.04700 0.06500 0.06300 0.00700 -0.00400 0.00500 S14 0.05600 0.03700 0.05600 0.00800 0.00300 0.00200