# generated using pymatgen data_Nb12IrAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22285700 _cell_length_b 5.23924800 _cell_length_c 10.49004200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb12IrAu3 _chemical_formula_sum 'Nb12 Ir1 Au3' _cell_volume 287.04786331 _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 0.50000000 0.00000000 0.37780500 1.0 Nb Nb1 1 0.50000000 0.00000000 0.87399500 1.0 Nb Nb2 1 0.74909700 0.50000000 0.00000000 1.0 Nb Nb3 1 0.75454400 0.50000000 0.50000000 1.0 Nb Nb4 1 0.00000000 0.75362900 0.25249100 1.0 Nb Nb5 1 0.00000000 0.75362900 0.74750900 1.0 Nb Nb6 1 0.50000000 0.00000000 0.12600500 1.0 Nb Nb7 1 0.50000000 0.00000000 0.62219500 1.0 Nb Nb8 1 0.25090300 0.50000000 0.00000000 1.0 Nb Nb9 1 0.24545600 0.50000000 0.50000000 1.0 Nb Nb10 1 0.00000000 0.24637100 0.25249100 1.0 Nb Nb11 1 0.00000000 0.24637100 0.74750900 1.0 Ir Ir12 1 0.00000000 0.00000000 0.50000000 1.0 Au Au13 1 0.50000000 0.50000000 0.25119700 1.0 Au Au14 1 0.50000000 0.50000000 0.74880300 1.0 Au Au15 1 0.00000000 0.00000000 0.00000000 1.0