data_global _chemical_name_mineral 'Wallisite' loop_ _publ_author_name 'Takeuchi Y' 'Ohmasa M' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 127 _journal_year 1968 _journal_page_first 349 _journal_page_last 365 _publ_section_title ; The crystal structure of wallisite, PbTlCuAs2S5, the Cu analogue of hatchite PbTlAgAs2S5 ; _database_code_amcsd 0010669 _chemical_compound_source 'Lengenbach quarry, Binnatal, Switzerland' _chemical_formula_sum '(Pb Tl) Cu As2 S5' _cell_length_a 9.215 _cell_length_b 8.524 _cell_length_c 7.980 _cell_angle_alpha 55.983 _cell_angle_beta 62.500 _cell_angle_gamma 69.400 _cell_volume 457.105 _exptl_crystal_density_diffrn 5.706 _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 0.40340 0.75180 0.30530 0.50000 0.03306 Tl1 0.40340 0.75180 0.30530 0.50000 0.03306 Pb2 0.12480 0.30880 0.41890 0.50000 0.05256 Tl2 0.12480 0.30880 0.41890 0.50000 0.05256 Cu 0.08460 0.11680 0.05080 1.00000 0.04243 As1 0.19100 0.54360 0.88760 1.00000 0.02850 As2 0.36320 0.90580 0.76450 1.00000 0.02964 S1 0.45380 0.62530 0.73630 1.00000 0.02128 S2 0.24060 0.36720 0.73370 1.00000 0.02647 S3 0.42060 0.12600 0.14850 1.00000 0.02862 S4 0.07450 0.82670 0.67360 1.00000 0.02596 S5 0.16860 0.80570 0.09650 1.00000 0.02153