# generated using pymatgen data_Nb2P5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39205627 _cell_length_b 7.93228258 _cell_length_c 16.75446008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2P5 _chemical_formula_sum 'Nb8 P20' _cell_volume 450.80804967 _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 Nb Nb0 1 0.25000000 0.32690554 0.77388289 1.0 Nb Nb1 1 0.75000000 0.67309446 0.22611711 1.0 Nb Nb2 1 0.75000000 0.82690554 0.72611711 1.0 Nb Nb3 1 0.25000000 0.17309446 0.27388289 1.0 Nb Nb4 1 0.25000000 0.33529654 0.59487219 1.0 Nb Nb5 1 0.75000000 0.66470346 0.40512781 1.0 Nb Nb6 1 0.75000000 0.83529654 0.90512781 1.0 Nb Nb7 1 0.25000000 0.16470346 0.09487219 1.0 P P8 1 0.75000000 0.15350928 0.68528916 1.0 P P9 1 0.25000000 0.84649072 0.31471084 1.0 P P10 1 0.25000000 0.65350928 0.81471084 1.0 P P11 1 0.75000000 0.34649072 0.18528916 1.0 P P12 1 0.25000000 0.00296439 0.81496455 1.0 P P13 1 0.75000000 0.99703561 0.18503545 1.0 P P14 1 0.75000000 0.50296439 0.68503545 1.0 P P15 1 0.25000000 0.49703561 0.31496455 1.0 P P16 1 0.25000000 0.46306256 0.04001689 1.0 P P17 1 0.75000000 0.53693744 0.95998311 1.0 P P18 1 0.75000000 0.96306256 0.45998311 1.0 P P19 1 0.25000000 0.03693744 0.54001689 1.0 P P20 1 0.75000000 0.18393934 0.38519008 1.0 P P21 1 0.25000000 0.81606066 0.61480992 1.0 P P22 1 0.25000000 0.68393934 0.11480992 1.0 P P23 1 0.75000000 0.31606066 0.88519008 1.0 P P24 1 0.75000000 0.12134628 0.97760149 1.0 P P25 1 0.25000000 0.87865372 0.02239851 1.0 P P26 1 0.25000000 0.62134628 0.52239851 1.0 P P27 1 0.75000000 0.37865372 0.47760149 1.0