# generated using pymatgen data_Nb20N17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28385745 _cell_length_b 8.28385745 _cell_length_c 10.35817115 _cell_angle_alpha 62.70946778 _cell_angle_beta 62.70946778 _cell_angle_gamma 44.48321365 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb20N17 _chemical_formula_sum 'Nb20 N17' _cell_volume 432.65773377 _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 0.00000000 0.50000000 0.00000000 1.0 Nb Nb1 1 0.60861600 0.08876800 0.19513900 1.0 Nb Nb2 1 0.71404200 0.18997600 0.40405700 1.0 Nb Nb3 1 0.18997600 0.71404200 0.40405700 1.0 Nb Nb4 1 0.28595800 0.81002400 0.59594300 1.0 Nb Nb5 1 0.85981500 0.85981500 0.68731800 1.0 Nb Nb6 1 0.81002400 0.28595800 0.59594300 1.0 Nb Nb7 1 0.91123200 0.39138400 0.80486100 1.0 Nb Nb8 1 0.44991100 0.44991100 0.90011500 1.0 Nb Nb9 1 0.39138400 0.91123200 0.80486100 1.0 Nb Nb10 1 0.50000000 0.00000000 0.00000000 1.0 Nb Nb11 1 0.05721700 0.05721700 0.09151300 1.0 Nb Nb12 1 0.14018500 0.14018500 0.31268200 1.0 Nb Nb13 1 0.08876800 0.60861600 0.19513900 1.0 Nb Nb14 1 0.65688400 0.65688400 0.29175400 1.0 Nb Nb15 1 0.75111800 0.75111800 0.49941800 1.0 Nb Nb16 1 0.24888200 0.24888200 0.50058200 1.0 Nb Nb17 1 0.34311600 0.34311600 0.70824600 1.0 Nb Nb18 1 0.94278300 0.94278300 0.90848700 1.0 Nb Nb19 1 0.55008900 0.55008900 0.09988500 1.0 N N20 1 0.39928200 0.39928200 0.30087500 1.0 N N21 1 0.50000000 0.50000000 0.50000000 1.0 N N22 1 0.09569100 0.09569100 0.70572500 1.0 N N23 1 0.64912100 0.14981900 0.79996700 1.0 N N24 1 0.60071800 0.60071800 0.69912500 1.0 N N25 1 0.70455900 0.70455900 0.89443100 1.0 N N26 1 0.24839200 0.75160800 0.00000000 1.0 N N27 1 0.35087900 0.85018100 0.20003300 1.0 N N28 1 0.29544100 0.29544100 0.10556900 1.0 N N29 1 0.85018100 0.35087900 0.20003300 1.0 N N30 1 0.94999100 0.45046400 0.39888000 1.0 N N31 1 0.90430900 0.90430900 0.29427500 1.0 N N32 1 0.45046400 0.94999100 0.39888000 1.0 N N33 1 0.54953600 0.05000900 0.60112000 1.0 N N34 1 0.05000900 0.54953600 0.60112000 1.0 N N35 1 0.14981900 0.64912100 0.79996700 1.0 N N36 1 0.75160800 0.24839200 0.00000000 1.0