# generated using pymatgen data_Nb8CuNi3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24355763 _cell_length_b 8.24355798 _cell_length_c 8.24581792 _cell_angle_alpha 59.99093487 _cell_angle_beta 59.99093346 _cell_angle_gamma 59.99847850 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8CuNi3N2 _chemical_formula_sum 'Nb16 Cu2 Ni6 N4' _cell_volume 396.17183848 _cell_formula_units_Z 2 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 0.43343243 0.06641082 0.06709764 1.0 Nb Nb1 1 0.06641082 0.43343243 0.43305811 1.0 Nb Nb2 1 0.06641082 0.43343243 0.06709764 1.0 Nb Nb3 1 0.06597835 0.06597835 0.43402165 1.0 Nb Nb4 1 0.43343243 0.06641082 0.43305811 1.0 Nb Nb5 1 0.43214149 0.43214149 0.06785851 1.0 Nb Nb6 1 0.18575889 0.81577222 0.18213088 1.0 Nb Nb7 1 0.81577222 0.18575889 0.81633701 1.0 Nb Nb8 1 0.81577222 0.18575889 0.18213088 1.0 Nb Nb9 1 0.18292436 0.18292436 0.81707564 1.0 Nb Nb10 1 0.18575889 0.81577222 0.81633701 1.0 Nb Nb11 1 0.81519879 0.81519879 0.18480121 1.0 Nb Nb12 1 0.62276113 0.62276113 0.62816657 1.0 Nb Nb13 1 0.62276113 0.62276113 0.12631116 1.0 Nb Nb14 1 0.12911953 0.61957564 0.62565341 1.0 Nb Nb15 1 0.61957564 0.12911953 0.62565341 1.0 Cu Cu16 1 0.83240474 0.83240474 0.83124344 1.0 Cu Cu17 1 0.83240474 0.83240474 0.50394507 1.0 Ni Ni18 1 0.51389725 0.82977524 0.82816226 1.0 Ni Ni19 1 0.82977524 0.51389725 0.82816226 1.0 Ni Ni20 1 0.42109211 0.42109211 0.42160503 1.0 Ni Ni21 1 0.42109211 0.42109211 0.73621175 1.0 Ni Ni22 1 0.42113089 0.73581824 0.42152543 1.0 Ni Ni23 1 0.73581824 0.42113089 0.42152543 1.0 N N24 1 0.12422705 0.62618078 0.12479559 1.0 N N25 1 0.62618078 0.12422705 0.12479559 1.0 N N26 1 0.12438285 0.12438285 0.62624236 1.0 N N27 1 0.12438285 0.12438285 0.12499195 1.0