# generated using pymatgen data_Cu3B4Pb2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78361300 _cell_length_b 6.87475200 _cell_length_c 15.67709515 _cell_angle_alpha 70.79668613 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu3B4Pb2O11 _chemical_formula_sum 'Cu6 B8 Pb4 O22' _cell_volume 486.87226079 _cell_formula_units_Z 2 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 0.47852200 0.21118600 0.94153500 1.0 Cu Cu1 1 0.52147800 0.78881400 0.05846500 1.0 Cu Cu2 1 0.47852200 0.78881400 0.55846500 1.0 Cu Cu3 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu4 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu5 1 0.52147800 0.21118600 0.44153500 1.0 B B6 1 0.05459300 0.03588000 0.09667400 1.0 B B7 1 0.01143000 0.36101300 0.33922100 1.0 B B8 1 0.05459300 0.96412000 0.40332600 1.0 B B9 1 0.98857000 0.36101300 0.83922100 1.0 B B10 1 0.98857000 0.63898700 0.66077900 1.0 B B11 1 0.01143000 0.63898700 0.16077900 1.0 B B12 1 0.94540700 0.96412000 0.90332600 1.0 B B13 1 0.94540700 0.03588000 0.59667400 1.0 Pb Pb14 1 0.57889600 0.29158100 0.19197600 1.0 Pb Pb15 1 0.57889600 0.70841900 0.30802400 1.0 Pb Pb16 1 0.42110400 0.29158100 0.69197600 1.0 Pb Pb17 1 0.42110400 0.70841900 0.80802400 1.0 O O18 1 0.69894400 0.59909400 0.65081300 1.0 O O19 1 0.06735600 0.22133500 0.58975600 1.0 O O20 1 0.17487100 0.58924000 0.59232400 1.0 O O21 1 0.82512900 0.41076000 0.40767600 1.0 O O22 1 0.29039800 0.02661400 0.04772200 1.0 O O23 1 0.05177400 0.14578800 0.84118400 1.0 O O24 1 0.06735600 0.77866500 0.91024400 1.0 O O25 1 0.29039800 0.97338600 0.45227800 1.0 O O26 1 0.70960200 0.02661400 0.54772200 1.0 O O27 1 0.11004700 0.50000000 0.75000000 1.0 O O28 1 0.70960200 0.97338600 0.95227800 1.0 O O29 1 0.94822600 0.85421200 0.15881600 1.0 O O30 1 0.82512900 0.58924000 0.09232400 1.0 O O31 1 0.93264400 0.22133500 0.08975600 1.0 O O32 1 0.30105600 0.59909400 0.15081300 1.0 O O33 1 0.05177400 0.85421200 0.65881600 1.0 O O34 1 0.93264400 0.77866500 0.41024400 1.0 O O35 1 0.94822600 0.14578800 0.34118400 1.0 O O36 1 0.88995300 0.50000000 0.25000000 1.0 O O37 1 0.17487100 0.41076000 0.90767600 1.0 O O38 1 0.69894400 0.40090600 0.84918700 1.0 O O39 1 0.30105600 0.40090600 0.34918700 1.0