# generated using pymatgen data_KCu7TeS5ClO24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94712500 _cell_length_b 9.94712500 _cell_length_c 20.79878100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KCu7TeS5ClO24 _chemical_formula_sum 'K4 Cu28 Te4 S20 Cl4 O96' _cell_volume 2057.94153761 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.50000000 0.50000000 0.75000000 1.0 K K1 1 0.50000000 0.50000000 0.25000000 1.0 K K2 1 0.00000000 0.00000000 0.75000000 1.0 K K3 1 0.00000000 0.00000000 0.25000000 1.0 Cu Cu4 1 0.76626500 0.47609700 0.10491400 1.0 Cu Cu5 1 0.00000000 0.50000000 0.80079200 1.0 Cu Cu6 1 0.47609700 0.23373500 0.89508600 1.0 Cu Cu7 1 0.25000000 0.75000000 0.00000000 1.0 Cu Cu8 1 0.52390300 0.76626500 0.89508600 1.0 Cu Cu9 1 0.00000000 0.50000000 0.30079200 1.0 Cu Cu10 1 0.50000000 0.00000000 0.69920800 1.0 Cu Cu11 1 0.23373500 0.52390300 0.10491400 1.0 Cu Cu12 1 0.75000000 0.25000000 0.50000000 1.0 Cu Cu13 1 0.47609700 0.76626500 0.39508600 1.0 Cu Cu14 1 0.25000000 0.25000000 0.50000000 1.0 Cu Cu15 1 0.02390300 0.26626500 0.10491400 1.0 Cu Cu16 1 0.26626500 0.02390300 0.39508600 1.0 Cu Cu17 1 0.23373500 0.47609700 0.60491400 1.0 Cu Cu18 1 0.75000000 0.75000000 0.00000000 1.0 Cu Cu19 1 0.73373500 0.97609700 0.39508600 1.0 Cu Cu20 1 0.25000000 0.75000000 0.50000000 1.0 Cu Cu21 1 0.52390300 0.23373500 0.39508600 1.0 Cu Cu22 1 0.02390300 0.73373500 0.60491400 1.0 Cu Cu23 1 0.75000000 0.25000000 0.00000000 1.0 Cu Cu24 1 0.26626500 0.97609700 0.89508600 1.0 Cu Cu25 1 0.50000000 0.00000000 0.19920800 1.0 Cu Cu26 1 0.75000000 0.75000000 0.50000000 1.0 Cu Cu27 1 0.25000000 0.25000000 0.00000000 1.0 Cu Cu28 1 0.97609700 0.73373500 0.10491400 1.0 Cu Cu29 1 0.97609700 0.26626500 0.60491400 1.0 Cu Cu30 1 0.76626500 0.52390300 0.60491400 1.0 Cu Cu31 1 0.73373500 0.02390300 0.89508600 1.0 Te Te32 1 0.00000000 0.50000000 0.00242300 1.0 Te Te33 1 0.00000000 0.50000000 0.50242300 1.0 Te Te34 1 0.50000000 0.00000000 0.99757700 1.0 Te Te35 1 0.50000000 0.00000000 0.49757700 1.0 S S36 1 0.81725100 0.25660800 0.35273600 1.0 S S37 1 0.68274900 0.24339200 0.64726400 1.0 S S38 1 0.24339200 0.31725100 0.35273600 1.0 S S39 1 0.74339200 0.81725100 0.64726400 1.0 S S40 1 0.75660800 0.31725100 0.85273600 1.0 S S41 1 0.75660800 0.68274900 0.35273600 1.0 S S42 1 0.25660800 0.81725100 0.14726400 1.0 S S43 1 0.50000000 0.50000000 0.00000000 1.0 S S44 1 0.24339200 0.68274900 0.85273600 1.0 S S45 1 0.31725100 0.75660800 0.64726400 1.0 S S46 1 0.50000000 0.50000000 0.50000000 1.0 S S47 1 0.74339200 0.18274900 0.14726400 1.0 S S48 1 0.18274900 0.25660800 0.85273600 1.0 S S49 1 0.25660800 0.18274900 0.64726400 1.0 S S50 1 0.00000000 0.00000000 0.00000000 1.0 S S51 1 0.68274900 0.75660800 0.14726400 1.0 S S52 1 0.00000000 0.00000000 0.50000000 1.0 S S53 1 0.18274900 0.74339200 0.35273600 1.0 S S54 1 0.81725100 0.74339200 0.85273600 1.0 S S55 1 0.31725100 0.24339200 0.14726400 1.0 Cl Cl56 1 0.50000000 0.00000000 0.82256500 1.0 Cl Cl57 1 0.50000000 0.00000000 0.32256500 1.0 Cl Cl58 1 0.00000000 0.50000000 0.17743500 1.0 Cl Cl59 1 0.00000000 0.50000000 0.67743500 1.0 O O60 1 0.85317000 0.29526500 0.42056100 1.0 O O61 1 0.66511000 0.60822300 0.15618600 1.0 O O62 1 0.33489000 0.39177700 0.15618600 1.0 O O63 1 0.59510300 0.42101100 0.04043600 1.0 O O64 1 0.41318800 0.82012200 0.69233500 1.0 O O65 1 0.29526500 0.14683000 0.57943900 1.0 O O66 1 0.17683800 0.20324900 0.16213300 1.0 O O67 1 0.58681200 0.82012200 0.19233500 1.0 O O68 1 0.67683800 0.29675100 0.33786700 1.0 O O69 1 0.35317000 0.20473500 0.07943900 1.0 O O70 1 0.16511000 0.89177700 0.34381400 1.0 O O71 1 0.09510300 0.92101100 0.95956400 1.0 O O72 1 0.83489000 0.89177700 0.84381400 1.0 O O73 1 0.70473500 0.14683000 0.07943900 1.0 O O74 1 0.17683800 0.79675100 0.66213300 1.0 O O75 1 0.17987800 0.58681200 0.80766500 1.0 O O76 1 0.70473500 0.85317000 0.57943900 1.0 O O77 1 0.82316200 0.79675100 0.16213300 1.0 O O78 1 0.85910600 0.61494300 0.04940900 1.0 O O79 1 0.90489700 0.07898900 0.95956400 1.0 O O80 1 0.35910600 0.11494300 0.95059100 1.0 O O81 1 0.29675100 0.67683800 0.16213300 1.0 O O82 1 0.14089400 0.61494300 0.54940900 1.0 O O83 1 0.64683000 0.20473500 0.57943900 1.0 O O84 1 0.61494300 0.14089400 0.95059100 1.0 O O85 1 0.08681200 0.67987800 0.30766500 1.0 O O86 1 0.40489700 0.42101100 0.54043600 1.0 O O87 1 0.89177700 0.16511000 0.15618600 1.0 O O88 1 0.32012200 0.08681200 0.69233500 1.0 O O89 1 0.16511000 0.10822300 0.84381400 1.0 O O90 1 0.39177700 0.66511000 0.84381400 1.0 O O91 1 0.70324900 0.67683800 0.66213300 1.0 O O92 1 0.79526500 0.35317000 0.92056100 1.0 O O93 1 0.07898900 0.90489700 0.54043600 1.0 O O94 1 0.33489000 0.60822300 0.65618600 1.0 O O95 1 0.20473500 0.64683000 0.92056100 1.0 O O96 1 0.82012200 0.41318800 0.80766500 1.0 O O97 1 0.08681200 0.32012200 0.80766500 1.0 O O98 1 0.79675100 0.82316200 0.33786700 1.0 O O99 1 0.10822300 0.83489000 0.15618600 1.0 O O100 1 0.82012200 0.58681200 0.30766500 1.0 O O101 1 0.20473500 0.35317000 0.42056100 1.0 O O102 1 0.88505700 0.35910600 0.04940900 1.0 O O103 1 0.32316200 0.29675100 0.83786700 1.0 O O104 1 0.79675100 0.17683800 0.83786700 1.0 O O105 1 0.11494300 0.64089400 0.04940900 1.0 O O106 1 0.67987800 0.08681200 0.19233500 1.0 O O107 1 0.58681200 0.17987800 0.69233500 1.0 O O108 1 0.29526500 0.85317000 0.07943900 1.0 O O109 1 0.61494300 0.85910600 0.45059100 1.0 O O110 1 0.79526500 0.64683000 0.42056100 1.0 O O111 1 0.40489700 0.57898900 0.04043600 1.0 O O112 1 0.35910600 0.88505700 0.45059100 1.0 O O113 1 0.64683000 0.79526500 0.07943900 1.0 O O114 1 0.10822300 0.16511000 0.65618600 1.0 O O115 1 0.38505700 0.14089400 0.45059100 1.0 O O116 1 0.67987800 0.91318800 0.69233500 1.0 O O117 1 0.14683000 0.70473500 0.42056100 1.0 O O118 1 0.17987800 0.41318800 0.30766500 1.0 O O119 1 0.14683000 0.29526500 0.92056100 1.0 O O120 1 0.60822300 0.33489000 0.84381400 1.0 O O121 1 0.85910600 0.38505700 0.54940900 1.0 O O122 1 0.11494300 0.35910600 0.54940900 1.0 O O123 1 0.38505700 0.85910600 0.95059100 1.0 O O124 1 0.64089400 0.11494300 0.45059100 1.0 O O125 1 0.60822300 0.66511000 0.34381400 1.0 O O126 1 0.14089400 0.38505700 0.04940900 1.0 O O127 1 0.20324900 0.82316200 0.83786700 1.0 O O128 1 0.90489700 0.92101100 0.45956400 1.0 O O129 1 0.20324900 0.17683800 0.33786700 1.0 O O130 1 0.32316200 0.70324900 0.33786700 1.0 O O131 1 0.39177700 0.33489000 0.34381400 1.0 O O132 1 0.57898900 0.59510300 0.95956400 1.0 O O133 1 0.59510300 0.57898900 0.54043600 1.0 O O134 1 0.83489000 0.10822300 0.34381400 1.0 O O135 1 0.42101100 0.40489700 0.95956400 1.0 O O136 1 0.82316200 0.20324900 0.66213300 1.0 O O137 1 0.64089400 0.88505700 0.95059100 1.0 O O138 1 0.91318800 0.67987800 0.80766500 1.0 O O139 1 0.89177700 0.83489000 0.65618600 1.0 O O140 1 0.57898900 0.40489700 0.45956400 1.0 O O141 1 0.35317000 0.79526500 0.57943900 1.0 O O142 1 0.42101100 0.59510300 0.45956400 1.0 O O143 1 0.91318800 0.32012200 0.30766500 1.0 O O144 1 0.67683800 0.70324900 0.83786700 1.0 O O145 1 0.70324900 0.32316200 0.16213300 1.0 O O146 1 0.92101100 0.90489700 0.04043600 1.0 O O147 1 0.92101100 0.09510300 0.54043600 1.0 O O148 1 0.41318800 0.17987800 0.19233500 1.0 O O149 1 0.29675100 0.32316200 0.66213300 1.0 O O150 1 0.85317000 0.70473500 0.92056100 1.0 O O151 1 0.66511000 0.39177700 0.65618600 1.0 O O152 1 0.32012200 0.91318800 0.19233500 1.0 O O153 1 0.88505700 0.64089400 0.54940900 1.0 O O154 1 0.09510300 0.07898900 0.45956400 1.0 O O155 1 0.07898900 0.09510300 0.04043600 1.0