# generated using pymatgen data_Nb8N5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38348500 _cell_length_b 4.38348500 _cell_length_c 8.79862900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8N5 _chemical_formula_sum 'Nb8 N5' _cell_volume 169.06513487 _cell_formula_units_Z 1 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 0.50000000 0.50000000 0.25230800 1.0 Nb Nb1 1 0.00000000 0.00000000 0.74844200 1.0 Nb Nb2 1 0.00000000 0.00000000 0.25155800 1.0 Nb Nb3 1 0.50000000 0.50000000 0.74769200 1.0 Nb Nb4 1 0.00000000 0.50000000 0.50000000 1.0 Nb Nb5 1 0.50000000 0.00000000 0.00000000 1.0 Nb Nb6 1 0.00000000 0.50000000 0.00000000 1.0 Nb Nb7 1 0.50000000 0.00000000 0.50000000 1.0 N N8 1 0.00000000 0.50000000 0.24943000 1.0 N N9 1 0.50000000 0.00000000 0.75057000 1.0 N N10 1 0.50000000 0.00000000 0.24943000 1.0 N N11 1 0.00000000 0.50000000 0.75057000 1.0 N N12 1 0.00000000 0.00000000 0.00000000 1.0