# generated using pymatgen data_Nb4CuNiN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.25623168 _cell_length_b 8.25623228 _cell_length_c 8.25623213 _cell_angle_alpha 59.99999663 _cell_angle_beta 59.99999423 _cell_angle_gamma 60.00000315 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4CuNiN _chemical_formula_sum 'Nb16 Cu4 Ni4 N4' _cell_volume 397.95196334 _cell_formula_units_Z 4 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 0.11882717 0.62705694 0.62705694 1.0 Nb Nb1 1 0.62705694 0.11882717 0.62705694 1.0 Nb Nb2 1 0.62705694 0.62705694 0.11882717 1.0 Nb Nb3 1 0.62705694 0.62705694 0.62705694 1.0 Nb Nb4 1 0.81629656 0.81629656 0.18370344 1.0 Nb Nb5 1 0.18370344 0.18370344 0.81629656 1.0 Nb Nb6 1 0.81629656 0.18370344 0.81629656 1.0 Nb Nb7 1 0.18370344 0.81629656 0.18370344 1.0 Nb Nb8 1 0.18370344 0.81629656 0.81629656 1.0 Nb Nb9 1 0.81629656 0.18370344 0.18370344 1.0 Nb Nb10 1 0.43466874 0.43466874 0.06533126 1.0 Nb Nb11 1 0.06533126 0.06533126 0.43466874 1.0 Nb Nb12 1 0.43466874 0.06533126 0.43466874 1.0 Nb Nb13 1 0.06533126 0.43466874 0.06533126 1.0 Nb Nb14 1 0.06533126 0.43466874 0.43466874 1.0 Nb Nb15 1 0.43466874 0.06533126 0.06533126 1.0 Cu Cu16 1 0.74680743 0.41773086 0.41773086 1.0 Cu Cu17 1 0.41773086 0.74680743 0.41773086 1.0 Cu Cu18 1 0.41773086 0.41773086 0.74680743 1.0 Cu Cu19 1 0.41773086 0.41773086 0.41773086 1.0 Ni Ni20 1 0.51450864 0.82849712 0.82849712 1.0 Ni Ni21 1 0.82849712 0.51450864 0.82849712 1.0 Ni Ni22 1 0.82849712 0.82849712 0.51450864 1.0 Ni Ni23 1 0.82849712 0.82849712 0.82849712 1.0 N N24 1 0.62305708 0.12564797 0.12564797 1.0 N N25 1 0.12564797 0.62305708 0.12564797 1.0 N N26 1 0.12564797 0.12564797 0.62305708 1.0 N N27 1 0.12564797 0.12564797 0.12564797 1.0