# generated using pymatgen data_Nb2P2O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47605049 _cell_length_b 5.47605049 _cell_length_c 11.83299900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.08639324 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2P2O9 _chemical_formula_sum 'Nb4 P4 O18' _cell_volume 342.60799887 _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 Nb Nb0 1 0.20373600 0.79626400 0.55998200 1.0 Nb Nb1 1 0.79626400 0.20373600 0.44001800 1.0 Nb Nb2 1 0.29626400 0.70373600 0.05998200 1.0 Nb Nb3 1 0.70373600 0.29626400 0.94001800 1.0 P P4 1 0.10547300 0.89452700 0.85270500 1.0 P P5 1 0.89452700 0.10547300 0.14729500 1.0 P P6 1 0.39452700 0.60547300 0.35270500 1.0 P P7 1 0.60547300 0.39452700 0.64729500 1.0 O O8 1 0.63227500 0.01782000 0.08353800 1.0 O O9 1 0.01782000 0.63227500 0.91646200 1.0 O O10 1 0.13227500 0.51782000 0.41646200 1.0 O O11 1 0.51782000 0.13227500 0.58353800 1.0 O O12 1 0.50000000 0.50000000 0.00000000 1.0 O O13 1 0.85849700 0.14150300 0.27302800 1.0 O O14 1 0.64150300 0.35849700 0.77302800 1.0 O O15 1 0.00000000 0.00000000 0.50000000 1.0 O O16 1 0.56466000 0.43534000 0.37460800 1.0 O O17 1 0.93534000 0.06466000 0.87460800 1.0 O O18 1 0.06466000 0.93534000 0.12539200 1.0 O O19 1 0.14150300 0.85849700 0.72697200 1.0 O O20 1 0.35849700 0.64150300 0.22697200 1.0 O O21 1 0.43534000 0.56466000 0.62539200 1.0 O O22 1 0.48218000 0.86772500 0.41646200 1.0 O O23 1 0.36772500 0.98218000 0.91646200 1.0 O O24 1 0.86772500 0.48218000 0.58353800 1.0 O O25 1 0.98218000 0.36772500 0.08353800 1.0