# generated using pymatgen data_BiP2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46764900 _cell_length_b 9.33317800 _cell_length_c 14.16350118 _cell_angle_alpha 63.54780171 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiP2O7 _chemical_formula_sum 'Bi4 P8 O28' _cell_volume 647.10155695 _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 Bi Bi0 1 0.73600800 0.73620400 0.52734200 1.0 Bi Bi1 1 0.76399200 0.73620400 0.02734200 1.0 Bi Bi2 1 0.23600800 0.26379600 0.97265800 1.0 Bi Bi3 1 0.26399200 0.26379600 0.47265800 1.0 P P4 1 0.75115900 0.18086900 0.34989700 1.0 P P5 1 0.74884100 0.18086900 0.84989700 1.0 P P6 1 0.27477800 0.68774000 0.88257500 1.0 P P7 1 0.72522200 0.31226000 0.11742500 1.0 P P8 1 0.22522200 0.68774000 0.38257500 1.0 P P9 1 0.77477800 0.31226000 0.61742500 1.0 P P10 1 0.24884100 0.81913100 0.65010300 1.0 P P11 1 0.25115900 0.81913100 0.15010300 1.0 O O12 1 0.63890200 0.24968600 0.54857600 1.0 O O13 1 0.27548600 0.99098800 0.06619000 1.0 O O14 1 0.22451400 0.99098800 0.56619000 1.0 O O15 1 0.86109800 0.24968600 0.04857600 1.0 O O16 1 0.94939400 0.68167100 0.40455400 1.0 O O17 1 0.67441700 0.46846400 0.61238000 1.0 O O18 1 0.72451400 0.00901200 0.93381000 1.0 O O19 1 0.50227200 0.74381800 0.65563000 1.0 O O20 1 0.32558300 0.53153600 0.38762000 1.0 O O21 1 0.77548600 0.00901200 0.43381000 1.0 O O22 1 0.95941600 0.28752300 0.35597800 1.0 O O23 1 0.44939400 0.31832900 0.09544600 1.0 O O24 1 0.99772800 0.74381800 0.15563000 1.0 O O25 1 0.54058400 0.28752300 0.85597800 1.0 O O26 1 0.45941600 0.71247700 0.14402200 1.0 O O27 1 0.22533900 0.82323300 0.76305200 1.0 O O28 1 0.04058400 0.71247700 0.64402200 1.0 O O29 1 0.72533900 0.17676700 0.73694800 1.0 O O30 1 0.17441700 0.53153600 0.88762000 1.0 O O31 1 0.49772800 0.25618200 0.34437000 1.0 O O32 1 0.82558300 0.46846400 0.11238000 1.0 O O33 1 0.27466100 0.82323300 0.26305200 1.0 O O34 1 0.36109800 0.75031400 0.45142400 1.0 O O35 1 0.00227200 0.25618200 0.84437000 1.0 O O36 1 0.05060600 0.31832900 0.59544600 1.0 O O37 1 0.77466100 0.17676700 0.23694800 1.0 O O38 1 0.55060600 0.68167100 0.90455400 1.0 O O39 1 0.13890200 0.75031400 0.95142400 1.0