# generated using pymatgen data_Nb12Cu3Au5N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06027777 _cell_length_b 7.06027757 _cell_length_c 7.06027797 _cell_angle_alpha 90.05547812 _cell_angle_beta 90.05547234 _cell_angle_gamma 90.05547569 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb12Cu3Au5N4 _chemical_formula_sum 'Nb12 Cu3 Au5 N4' _cell_volume 351.93685747 _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 0.79529880 0.96029098 0.37046810 1.0 Nb Nb1 1 0.70566041 0.04145705 0.87594374 1.0 Nb Nb2 1 0.20550484 0.46071063 0.12757278 1.0 Nb Nb3 1 0.29333531 0.53771788 0.62970118 1.0 Nb Nb4 1 0.96029098 0.37046810 0.79529880 1.0 Nb Nb5 1 0.04145705 0.87594374 0.70566041 1.0 Nb Nb6 1 0.46071063 0.12757278 0.20550484 1.0 Nb Nb7 1 0.53771788 0.62970118 0.29333531 1.0 Nb Nb8 1 0.37046810 0.79529880 0.96029098 1.0 Nb Nb9 1 0.87594374 0.70566041 0.04145705 1.0 Nb Nb10 1 0.12757278 0.20550484 0.46071063 1.0 Nb Nb11 1 0.62970118 0.29333531 0.53771788 1.0 Cu Cu12 1 0.18201745 0.81974094 0.31509191 1.0 Cu Cu13 1 0.31509191 0.18201745 0.81974094 1.0 Cu Cu14 1 0.81974094 0.31509191 0.18201745 1.0 Au Au15 1 0.68299677 0.68299677 0.68299677 1.0 Au Au16 1 0.56682257 0.42098385 0.93874989 1.0 Au Au17 1 0.42098385 0.93874989 0.56682257 1.0 Au Au18 1 0.93874989 0.56682257 0.42098385 1.0 Au Au19 1 0.07070485 0.07070485 0.07070485 1.0 N N20 1 0.87492284 0.12270656 0.62450988 1.0 N N21 1 0.62450988 0.87492284 0.12270656 1.0 N N22 1 0.12270656 0.62450988 0.87492284 1.0 N N23 1 0.37708780 0.37708780 0.37708780 1.0