# generated using pymatgen data_Cu2P2PbO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14935000 _cell_length_b 10.51179900 _cell_length_c 15.68057400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2P2PbO8 _chemical_formula_sum 'Cu16 P16 Pb8 O64' _cell_volume 1343.26585288 _cell_formula_units_Z 8 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 0.43377300 0.55572100 0.33790100 1.0 Cu Cu1 1 0.59834000 0.29311400 0.42427900 1.0 Cu Cu2 1 0.40166000 0.70688600 0.57572100 1.0 Cu Cu3 1 0.09834000 0.20688600 0.57572100 1.0 Cu Cu4 1 0.59834000 0.79311400 0.07572100 1.0 Cu Cu5 1 0.06622700 0.55572100 0.16209900 1.0 Cu Cu6 1 0.90166000 0.29311400 0.07572100 1.0 Cu Cu7 1 0.93377300 0.94427900 0.66209900 1.0 Cu Cu8 1 0.90166000 0.79311400 0.42427900 1.0 Cu Cu9 1 0.56622700 0.94427900 0.83790100 1.0 Cu Cu10 1 0.56622700 0.44427900 0.66209900 1.0 Cu Cu11 1 0.93377300 0.44427900 0.83790100 1.0 Cu Cu12 1 0.40166000 0.20688600 0.92427900 1.0 Cu Cu13 1 0.43377300 0.05572100 0.16209900 1.0 Cu Cu14 1 0.09834000 0.70688600 0.92427900 1.0 Cu Cu15 1 0.06622700 0.05572100 0.33790100 1.0 P P16 1 0.80266300 0.57236700 0.00951100 1.0 P P17 1 0.75000000 0.67766800 0.25000000 1.0 P P18 1 0.19733700 0.92763300 0.50951100 1.0 P P19 1 0.75000000 0.70595800 0.75000000 1.0 P P20 1 0.25000000 0.32233200 0.75000000 1.0 P P21 1 0.25000000 0.29404200 0.25000000 1.0 P P22 1 0.19733700 0.42763300 0.99048900 1.0 P P23 1 0.30266300 0.92763300 0.99048900 1.0 P P24 1 0.75000000 0.20595800 0.75000000 1.0 P P25 1 0.25000000 0.82233200 0.75000000 1.0 P P26 1 0.75000000 0.17766800 0.25000000 1.0 P P27 1 0.80266300 0.07236700 0.49048900 1.0 P P28 1 0.69733700 0.07236700 0.00951100 1.0 P P29 1 0.25000000 0.79404200 0.25000000 1.0 P P30 1 0.69733700 0.57236700 0.49048900 1.0 P P31 1 0.30266300 0.42763300 0.50951100 1.0 Pb Pb32 1 0.48096100 0.58092800 0.86892300 1.0 Pb Pb33 1 0.01903900 0.08092800 0.86892300 1.0 Pb Pb34 1 0.51903900 0.91907200 0.36892300 1.0 Pb Pb35 1 0.01903900 0.58092800 0.63107700 1.0 Pb Pb36 1 0.48096100 0.08092800 0.63107700 1.0 Pb Pb37 1 0.98096100 0.91907200 0.13107700 1.0 Pb Pb38 1 0.98096100 0.41907200 0.36892300 1.0 Pb Pb39 1 0.51903900 0.41907200 0.13107700 1.0 O O40 1 0.09936200 0.88006500 0.27355900 1.0 O O41 1 0.59224700 0.09394500 0.25459300 1.0 O O42 1 0.19626800 0.71567900 0.17104100 1.0 O O43 1 0.41789000 0.81147000 0.99666000 1.0 O O44 1 0.09224700 0.90605500 0.75459300 1.0 O O45 1 0.86463300 0.98052200 0.41741000 1.0 O O46 1 0.19626800 0.21567900 0.32895900 1.0 O O47 1 0.25703700 0.73592800 0.83067900 1.0 O O48 1 0.80373200 0.78432100 0.67104100 1.0 O O49 1 0.24296300 0.23592800 0.83067900 1.0 O O50 1 0.59936200 0.61993500 0.72644100 1.0 O O51 1 0.87390400 0.61724900 0.46429400 1.0 O O52 1 0.37390400 0.88275100 0.53570600 1.0 O O53 1 0.08211000 0.31147000 0.99666000 1.0 O O54 1 0.62609600 0.61724900 0.03570600 1.0 O O55 1 0.90063800 0.61993500 0.77355900 1.0 O O56 1 0.40775300 0.90605500 0.74540700 1.0 O O57 1 0.27637000 0.50158400 0.42517200 1.0 O O58 1 0.91789000 0.18853000 0.49666000 1.0 O O59 1 0.87390400 0.11724900 0.03570600 1.0 O O60 1 0.86463300 0.48052200 0.08259000 1.0 O O61 1 0.36463300 0.51947800 0.58259000 1.0 O O62 1 0.74296300 0.26407200 0.16932100 1.0 O O63 1 0.09224700 0.40605500 0.74540700 1.0 O O64 1 0.13536700 0.01947800 0.58259000 1.0 O O65 1 0.58211000 0.68853000 0.49666000 1.0 O O66 1 0.13536700 0.51947800 0.91741000 1.0 O O67 1 0.75703700 0.76407200 0.16932100 1.0 O O68 1 0.90775300 0.59394500 0.25459300 1.0 O O69 1 0.37390400 0.38275100 0.96429400 1.0 O O70 1 0.12609600 0.38275100 0.53570600 1.0 O O71 1 0.22363000 0.50158400 0.07482800 1.0 O O72 1 0.63536700 0.98052200 0.08259000 1.0 O O73 1 0.62609600 0.11724900 0.46429400 1.0 O O74 1 0.91789000 0.68853000 0.00334000 1.0 O O75 1 0.27637000 0.00158400 0.07482800 1.0 O O76 1 0.12609600 0.88275100 0.96429400 1.0 O O77 1 0.72363000 0.49841600 0.57482800 1.0 O O78 1 0.69626800 0.78432100 0.82895900 1.0 O O79 1 0.77637000 0.49841600 0.92517200 1.0 O O80 1 0.59224700 0.59394500 0.24540700 1.0 O O81 1 0.69626800 0.28432100 0.67104100 1.0 O O82 1 0.08211000 0.81147000 0.50334000 1.0 O O83 1 0.90063800 0.11993500 0.72644100 1.0 O O84 1 0.90775300 0.09394500 0.24540700 1.0 O O85 1 0.75703700 0.26407200 0.33067900 1.0 O O86 1 0.40063800 0.88006500 0.22644100 1.0 O O87 1 0.30373200 0.71567900 0.32895900 1.0 O O88 1 0.80373200 0.28432100 0.82895900 1.0 O O89 1 0.30373200 0.21567900 0.17104100 1.0 O O90 1 0.63536700 0.48052200 0.41741000 1.0 O O91 1 0.25703700 0.23592800 0.66932100 1.0 O O92 1 0.40775300 0.40605500 0.75459300 1.0 O O93 1 0.09936200 0.38006500 0.22644100 1.0 O O94 1 0.58211000 0.18853000 0.00334000 1.0 O O95 1 0.24296300 0.73592800 0.66932100 1.0 O O96 1 0.36463300 0.01947800 0.91741000 1.0 O O97 1 0.41789000 0.31147000 0.50334000 1.0 O O98 1 0.74296300 0.76407200 0.33067900 1.0 O O99 1 0.72363000 0.99841600 0.92517200 1.0 O O100 1 0.77637000 0.99841600 0.57482800 1.0 O O101 1 0.40063800 0.38006500 0.27355900 1.0 O O102 1 0.22363000 0.00158400 0.42517200 1.0 O O103 1 0.59936200 0.11993500 0.77355900 1.0