# generated using pymatgen data_Nb16N9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21031299 _cell_length_b 8.21031299 _cell_length_c 8.21031299 _cell_angle_alpha 136.19638126 _cell_angle_beta 114.49750620 _cell_angle_gamma 82.16214364 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb16N9 _chemical_formula_sum 'Nb16 N9' _cell_volume 336.74738143 _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 0.37765300 0.63210300 0.25445100 1.0 Nb Nb1 1 0.37765300 0.12320200 0.74554900 1.0 Nb Nb2 1 0.75637900 0.00000000 0.75637900 1.0 Nb Nb3 1 0.62234700 0.36789700 0.74554900 1.0 Nb Nb4 1 0.62234700 0.87679800 0.25445100 1.0 Nb Nb5 1 0.99723100 0.74807300 0.24915800 1.0 Nb Nb6 1 0.87239800 0.12656500 0.25416700 1.0 Nb Nb7 1 0.00276900 0.25192700 0.75084200 1.0 Nb Nb8 1 0.87239800 0.61823100 0.74583300 1.0 Nb Nb9 1 0.24862800 0.50000000 0.74862800 1.0 Nb Nb10 1 0.12760200 0.87343500 0.74583300 1.0 Nb Nb11 1 0.24362100 0.00000000 0.24362100 1.0 Nb Nb12 1 0.12760200 0.38176900 0.25416700 1.0 Nb Nb13 1 0.50108500 0.25192700 0.24915800 1.0 Nb Nb14 1 0.49891500 0.74807300 0.75084200 1.0 Nb Nb15 1 0.75137200 0.50000000 0.25137200 1.0 N N16 1 0.87443600 0.37457600 0.99875200 1.0 N N17 1 0.87443600 0.87568400 0.49986000 1.0 N N18 1 0.12556400 0.12431600 0.50014000 1.0 N N19 1 0.12556400 0.62542400 0.00124800 1.0 N N20 1 0.37582400 0.87568400 0.00124800 1.0 N N21 1 0.37582400 0.37457600 0.50014000 1.0 N N22 1 0.62417600 0.62542400 0.49986000 1.0 N N23 1 0.62417600 0.12431600 0.99875200 1.0 N N24 1 0.00000000 0.00000000 0.00000000 1.0