data_global _chemical_name_mineral 'Chalcothallite' loop_ _publ_author_name 'Makovicky E' 'Johan Z' 'Karup-Moller S' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Abhandlungen' _journal_volume 138 _journal_year 1980 _journal_page_first 122 _journal_page_last 146 _publ_section_title ; New data on bukovite, thalcusite, chalcothallite and rohaite ; _database_code_amcsd 0014710 _chemical_compound_source 'Ilimaussaq massif, Greenland' _chemical_formula_sum '(Tl1.8 K.2) Cu5.51 Fe.72 Ag.12 Sb S4' _cell_length_a 3.827 _cell_length_b 3.827 _cell_length_c 34.280 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 502.062 _exptl_crystal_density_diffrn 6.807 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 Tl 0.00000 0.00000 0.14830 0.90000 0.02700 K 0.00000 0.00000 0.14830 0.10000 0.02700 Cu1 0.00000 0.50000 0.05700 0.86000 0.02200 Fe1 0.00000 0.50000 0.05700 0.12000 0.02200 Ag1 0.00000 0.50000 0.05700 0.02000 0.02200 Cu2 0.00000 0.50000 0.25000 0.86000 0.03700 Fe2 0.00000 0.50000 0.25000 0.12000 0.03700 Ag2 0.00000 0.50000 0.25000 0.02000 0.03700 Cu3 0.50000 0.50000 0.00000 0.35000 0.03100 Sb 0.00000 0.00000 0.00000 1.00000 0.01700 S1 0.50000 0.50000 0.09300 1.00000 ? S2 0.50000 0.50000 0.21400 1.00000 0.04500