# generated using pymatgen data_CuBi(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28685800 _cell_length_b 5.40014300 _cell_length_c 10.35581379 _cell_angle_alpha 83.72204272 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuBi(PO4)2 _chemical_formula_sum 'Cu2 Bi2 P4 O16' _cell_volume 349.47079075 _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 0.25000000 0.84299600 0.68399900 1.0 Cu Cu1 1 0.75000000 0.15700400 0.31600100 1.0 Bi Bi2 1 0.75000000 0.44459600 0.78688900 1.0 Bi Bi3 1 0.25000000 0.55540400 0.21311100 1.0 P P4 1 0.25000000 0.36342700 0.88811500 1.0 P P5 1 0.75000000 0.94500900 0.59519400 1.0 P P6 1 0.25000000 0.05499100 0.40480600 1.0 P P7 1 0.75000000 0.63657300 0.11188500 1.0 O O8 1 0.75000000 0.67499400 0.96243800 1.0 O O9 1 0.25000000 0.65235200 0.84813200 1.0 O O10 1 0.05524600 0.23632700 0.83004800 1.0 O O11 1 0.44475400 0.23632700 0.83004800 1.0 O O12 1 0.55884500 0.79559000 0.66913500 1.0 O O13 1 0.94115500 0.79559000 0.66913500 1.0 O O14 1 0.75000000 0.22453500 0.60389100 1.0 O O15 1 0.25000000 0.10482300 0.54971600 1.0 O O16 1 0.75000000 0.89517700 0.45028400 1.0 O O17 1 0.25000000 0.77546500 0.39610900 1.0 O O18 1 0.05884500 0.20441000 0.33086500 1.0 O O19 1 0.44115500 0.20441000 0.33086500 1.0 O O20 1 0.55524600 0.76367300 0.16995200 1.0 O O21 1 0.94475400 0.76367300 0.16995200 1.0 O O22 1 0.75000000 0.34764800 0.15186800 1.0 O O23 1 0.25000000 0.32500600 0.03756200 1.0