# generated using pymatgen data_Nb15Ni8MoN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20074251 _cell_length_b 8.22294503 _cell_length_c 8.20074189 _cell_angle_alpha 60.08927599 _cell_angle_beta 59.99999853 _cell_angle_gamma 60.08928106 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb15Ni8MoN4 _chemical_formula_sum 'Nb15 Ni8 Mo1 N4' _cell_volume 391.56461916 _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 0.31494819 0.68365182 0.68645079 1.0 Nb Nb1 1 0.12500000 0.12500000 0.62500000 1.0 Nb Nb2 1 0.56354921 0.56634818 0.93505181 1.0 Nb Nb3 1 0.31494819 0.68365182 0.31494819 1.0 Nb Nb4 1 0.31666075 0.31648105 0.68342910 1.0 Nb Nb5 1 0.68342910 0.31648105 0.31666075 1.0 Nb Nb6 1 0.93333925 0.93351895 0.56657090 1.0 Nb Nb7 1 0.93505181 0.56634818 0.93505181 1.0 Nb Nb8 1 0.93505181 0.56634818 0.56354921 1.0 Nb Nb9 1 0.56657090 0.93351895 0.93333925 1.0 Nb Nb10 1 0.12500000 0.12500000 0.12500000 1.0 Nb Nb11 1 0.68645079 0.68365182 0.31494819 1.0 Nb Nb12 1 0.68342910 0.31648105 0.68342910 1.0 Nb Nb13 1 0.56657090 0.93351895 0.56657090 1.0 Nb Nb14 1 0.62500000 0.12500000 0.12500000 1.0 Ni Ni15 1 0.01421376 0.33311621 0.32633551 1.0 Ni Ni16 1 0.92366449 0.91688379 0.92366449 1.0 Ni Ni17 1 0.32633551 0.33311621 0.01421376 1.0 Ni Ni18 1 0.92366449 0.91688379 0.23578624 1.0 Ni Ni19 1 0.23578624 0.91688379 0.92366449 1.0 Ni Ni20 1 0.32986732 0.01039804 0.32986732 1.0 Ni Ni21 1 0.92013268 0.23960196 0.92013268 1.0 Ni Ni22 1 0.32633551 0.33311621 0.32633551 1.0 Mo Mo23 1 0.12500000 0.62500000 0.12500000 1.0 N N24 1 0.62500000 0.12500000 0.62500000 1.0 N N25 1 0.62500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.62500000 0.62500000 1.0 N N27 1 0.62500000 0.62500000 0.62500000 1.0