# generated using pymatgen data_Cu2BiPO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17404900 _cell_length_b 7.88532369 _cell_length_c 12.03175502 _cell_angle_alpha 90.04746366 _cell_angle_beta 90.00004595 _cell_angle_gamma 90.00004394 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2BiPO6 _chemical_formula_sum 'Cu8 Bi4 P4 O24' _cell_volume 490.88401974 _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 Cu Cu0 1 0.24999600 0.68347400 0.93071500 1.0 Cu Cu1 1 0.74999800 0.81210300 0.58848700 1.0 Cu Cu2 1 0.75000300 0.18341900 0.56907500 1.0 Cu Cu3 1 0.74999900 0.68801600 0.08847900 1.0 Cu Cu4 1 0.25000000 0.31193700 0.91156600 1.0 Cu Cu5 1 0.24999900 0.18796700 0.41146200 1.0 Cu Cu6 1 0.25000400 0.81665100 0.43093200 1.0 Cu Cu7 1 0.75000000 0.31652300 0.06917700 1.0 Bi Bi8 1 0.75000000 0.52749600 0.38878100 1.0 Bi Bi9 1 0.25000000 0.47252800 0.61123100 1.0 Bi Bi10 1 0.75000100 0.97245300 0.88879400 1.0 Bi Bi11 1 0.24999900 0.02748200 0.11119400 1.0 P P12 1 0.24999900 0.03737200 0.69707800 1.0 P P13 1 0.75000100 0.96263500 0.30290700 1.0 P P14 1 0.25000000 0.46284500 0.19712100 1.0 P P15 1 0.75000100 0.53718600 0.80289600 1.0 O O16 1 0.74999900 0.41962100 0.70182200 1.0 O O17 1 0.99999000 0.50677600 0.87467500 1.0 O O18 1 0.25000000 0.27469500 0.23291900 1.0 O O19 1 0.00003800 0.99319200 0.37468600 1.0 O O20 1 0.75000000 0.77456600 0.26700600 1.0 O O21 1 0.99766000 0.82299100 0.00631300 1.0 O O22 1 0.50001700 0.49320600 0.12532800 1.0 O O23 1 0.50001100 0.50677600 0.87467500 1.0 O O24 1 0.00219400 0.32298100 0.49369600 1.0 O O25 1 0.75000000 0.72532700 0.76707600 1.0 O O26 1 0.25000000 0.22541400 0.73298300 1.0 O O27 1 0.99998300 0.49320600 0.12532900 1.0 O O28 1 0.75000000 0.08030600 0.20191700 1.0 O O29 1 0.49780500 0.32298100 0.49369600 1.0 O O30 1 0.50007800 0.00681900 0.62531700 1.0 O O31 1 0.49775900 0.17696700 0.99371000 1.0 O O32 1 0.50234000 0.82299200 0.00631400 1.0 O O33 1 0.50224000 0.67703700 0.50632300 1.0 O O34 1 0.25000000 0.91967600 0.79810100 1.0 O O35 1 0.00224100 0.17696800 0.99371100 1.0 O O36 1 0.25000000 0.58036500 0.29818200 1.0 O O37 1 0.99992300 0.00681900 0.62531700 1.0 O O38 1 0.99776000 0.67703800 0.50632300 1.0 O O39 1 0.49996300 0.99319200 0.37468600 1.0