# generated using pymatgen data_Cu4Si4Pb4C4ClO28 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.46286299 _cell_length_b 10.46286299 _cell_length_c 10.46286299 _cell_angle_alpha 94.99157372 _cell_angle_beta 94.99157372 _cell_angle_gamma 145.68812991 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4Si4Pb4C4ClO28 _chemical_formula_sum 'Cu4 Si4 Pb4 C4 Cl1 O28' _cell_volume 616.92258670 _cell_formula_units_Z 1 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 Cu Cu0 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu1 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu2 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu3 1 0.50000000 0.50000000 0.50000000 1.0 Si Si4 1 0.38880800 0.61653800 0.00534600 1.0 Si Si5 1 0.61119200 0.38346200 0.99465400 1.0 Si Si6 1 0.61653800 0.61119200 0.22773000 1.0 Si Si7 1 0.38346200 0.38880800 0.77227000 1.0 Pb Pb8 1 0.96772900 0.23237900 0.20010800 1.0 Pb Pb9 1 0.03227100 0.76762100 0.79989200 1.0 Pb Pb10 1 0.23237900 0.03227100 0.26465100 1.0 Pb Pb11 1 0.76762100 0.96772900 0.73534900 1.0 C C12 1 0.14464400 0.43618900 0.58083300 1.0 C C13 1 0.85535600 0.56381100 0.41916700 1.0 C C14 1 0.43618900 0.85535600 0.29154500 1.0 C C15 1 0.56381100 0.14464400 0.70845500 1.0 Cl Cl16 1 0.00000000 0.00000000 0.00000000 1.0 O O17 1 0.12304800 0.43694700 0.01316000 1.0 O O18 1 0.42378800 0.10988900 0.98684000 1.0 O O19 1 0.43694700 0.42378800 0.31389900 1.0 O O20 1 0.10988900 0.12304800 0.68610100 1.0 O O21 1 0.87695200 0.56305300 0.98684000 1.0 O O22 1 0.57621200 0.89011100 0.01316000 1.0 O O23 1 0.56305300 0.57621200 0.68610100 1.0 O O24 1 0.89011100 0.87695200 0.31389900 1.0 O O25 1 0.80476100 0.29453700 0.09929800 1.0 O O26 1 0.19523900 0.70546300 0.90070200 1.0 O O27 1 0.29453700 0.19523900 0.48977500 1.0 O O28 1 0.70546300 0.80476100 0.51022500 1.0 O O29 1 0.36580300 0.50342300 0.86922600 1.0 O O30 1 0.63419700 0.49657700 0.13077400 1.0 O O31 1 0.50342300 0.63419700 0.13762000 1.0 O O32 1 0.49657700 0.36580300 0.86238000 1.0 O O33 1 0.13782000 0.34493100 0.48275100 1.0 O O34 1 0.86218000 0.65506900 0.51724900 1.0 O O35 1 0.34493100 0.86218000 0.20711000 1.0 O O36 1 0.65506900 0.13782000 0.79289000 1.0 O O37 1 0.96887500 0.30134000 0.62945800 1.0 O O38 1 0.67188200 0.33941800 0.37054200 1.0 O O39 1 0.30134000 0.67188200 0.33246500 1.0 O O40 1 0.33941800 0.96887500 0.66753500 1.0 O O41 1 0.03112500 0.69866000 0.37054200 1.0 O O42 1 0.32811800 0.66058200 0.62945800 1.0 O O43 1 0.69866000 0.32811800 0.66753500 1.0 O O44 1 0.66058200 0.03112500 0.33246500 1.0