# generated using pymatgen data_Nb4B2PW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15481538 _cell_length_b 6.15481621 _cell_length_c 7.23895184 _cell_angle_alpha 115.15812375 _cell_angle_beta 115.15813124 _cell_angle_gamma 89.99999867 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4B2PW _chemical_formula_sum 'Nb8 B4 P2 W2' _cell_volume 219.13063525 _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 0.02829271 0.52829271 0.72038293 1.0 Nb Nb1 1 0.69209022 0.19209022 0.72038293 1.0 Nb Nb2 1 0.19209022 0.02829271 0.72038293 1.0 Nb Nb3 1 0.52829271 0.69209022 0.72038293 1.0 Nb Nb4 1 0.97170729 0.47170729 0.27961707 1.0 Nb Nb5 1 0.30790978 0.80790978 0.27961707 1.0 Nb Nb6 1 0.80790978 0.97170729 0.27961707 1.0 Nb Nb7 1 0.47170729 0.30790978 0.27961707 1.0 B B8 1 0.38197406 0.88197406 0.00000000 1.0 B B9 1 0.61802594 0.11802594 0.00000000 1.0 B B10 1 0.11802594 0.38197406 0.00000000 1.0 B B11 1 0.88197406 0.61802594 1.00000000 1.0 P P12 1 0.25000000 0.25000000 0.50000000 1.0 P P13 1 0.75000000 0.75000000 0.50000000 1.0 W W14 1 0.50000000 0.50000000 0.00000000 1.0 W W15 1 0.00000000 0.00000000 0.00000000 1.0