data_global _chemical_name_mineral 'Hutchinsonite' loop_ _publ_author_name 'Takeuchi Y' 'Ghose S' 'Nowacki W' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 121 _journal_year 1965 _journal_page_first 321 _journal_page_last 348 _publ_section_title ; The crystal structure of hutchinsonite, (Tl,Pb)2As5S9 ; _database_code_amcsd 0010621 _chemical_compound_source 'Lengenbach, Binnatal, Valais, Switzerland' _chemical_formula_sum '(Pb Tl) As5 S9' _cell_length_a 10.81 _cell_length_b 35.36 _cell_length_c 8.16 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3119.091 _exptl_crystal_density_diffrn 4.578 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-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_occupancy _atom_site_U_iso_or_equiv Pb1 0.35810 0.24690 0.10560 0.50000 0.02432 Tl1 0.35810 0.24690 0.10560 0.50000 0.02432 Pb2 0.33610 0.12230 0.63510 0.50000 0.03610 Tl2 0.33610 0.12230 0.63510 0.50000 0.03610 As1 0.10810 0.19480 0.70400 1.00000 0.02330 As2 0.09940 0.18480 0.12610 1.00000 0.02533 As3 0.43620 0.11530 0.13440 1.00000 0.02356 As4 0.13640 0.04800 0.21510 1.00000 0.02457 As5 0.38140 0.02880 0.95450 1.00000 0.02419 S1 0.39340 0.18990 0.36440 1.00000 0.02305 S2 0.40900 0.19060 0.86280 1.00000 0.02039 S3 0.11230 0.25400 0.37040 1.00000 0.01849 S4 0.12890 0.13770 0.32470 1.00000 0.02077 S5 0.11280 0.14660 0.89530 1.00000 0.01963 S6 0.38780 0.01510 0.68380 1.00000 0.02875 S7 0.19420 0.05730 0.95210 1.00000 0.03052 S8 0.43900 0.06720 0.32750 1.00000 0.02520 S9 0.00860 0.07990 0.58590 1.00000 0.02153