# generated using pymatgen data_Nb16N13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26466631 _cell_length_b 8.26466631 _cell_length_c 8.26466631 _cell_angle_alpha 135.42053821 _cell_angle_beta 116.01703371 _cell_angle_gamma 81.31998459 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb16N13 _chemical_formula_sum 'Nb16 N13' _cell_volume 344.20797659 _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 0.62640300 0.87680600 0.25040300 1.0 Nb Nb1 1 0.62640300 0.37600000 0.74959700 1.0 Nb Nb2 1 0.25686700 0.00000000 0.25686700 1.0 Nb Nb3 1 0.37359700 0.12319400 0.74959700 1.0 Nb Nb4 1 0.37359700 0.62400000 0.25040300 1.0 Nb Nb5 1 0.01040000 0.25036000 0.76004000 1.0 Nb Nb6 1 0.12964800 0.36918200 0.23953400 1.0 Nb Nb7 1 0.98960000 0.74964000 0.23996000 1.0 Nb Nb8 1 0.12964800 0.89011400 0.76046600 1.0 Nb Nb9 1 0.74933400 0.50000000 0.24933400 1.0 Nb Nb10 1 0.87035200 0.63081800 0.76046600 1.0 Nb Nb11 1 0.74313300 0.00000000 0.74313300 1.0 Nb Nb12 1 0.87035200 0.10988600 0.23953400 1.0 Nb Nb13 1 0.50968000 0.74964000 0.76004000 1.0 Nb Nb14 1 0.49032000 0.25036000 0.23996000 1.0 Nb Nb15 1 0.25066600 0.50000000 0.75066600 1.0 N N16 1 0.50000000 0.50000000 0.00000000 1.0 N N17 1 0.12553700 0.12453400 0.49974800 1.0 N N18 1 0.12553700 0.62578800 0.00100200 1.0 N N19 1 0.24983400 0.74983400 0.50000000 1.0 N N20 1 0.87446300 0.37421200 0.99899800 1.0 N N21 1 0.00000000 0.50000000 0.50000000 1.0 N N22 1 0.87446300 0.87546600 0.50025200 1.0 N N23 1 0.00000000 0.00000000 0.00000000 1.0 N N24 1 0.62478600 0.62578800 0.50025200 1.0 N N25 1 0.62478600 0.12453400 0.99899800 1.0 N N26 1 0.75016600 0.25016600 0.50000000 1.0 N N27 1 0.37521400 0.87546600 0.00100200 1.0 N N28 1 0.37521400 0.37421200 0.49974800 1.0