# generated using pymatgen data_Nb3AlAuN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09645103 _cell_length_b 7.09645103 _cell_length_c 7.09645103 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3AlAuN _chemical_formula_sum 'Nb12 Al4 Au4 N4' _cell_volume 357.37455725 _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 0.78676539 0.95617410 0.37611951 1.0 Nb Nb1 1 0.71323461 0.04382590 0.87611951 1.0 Nb Nb2 1 0.21323461 0.45617410 0.12388049 1.0 Nb Nb3 1 0.28676539 0.54382590 0.62388049 1.0 Nb Nb4 1 0.95617410 0.37611951 0.78676539 1.0 Nb Nb5 1 0.04382590 0.87611951 0.71323461 1.0 Nb Nb6 1 0.45617410 0.12388049 0.21323461 1.0 Nb Nb7 1 0.54382590 0.62388049 0.28676539 1.0 Nb Nb8 1 0.37611951 0.78676539 0.95617410 1.0 Nb Nb9 1 0.87611951 0.71323461 0.04382590 1.0 Nb Nb10 1 0.12388049 0.21323461 0.45617410 1.0 Nb Nb11 1 0.62388049 0.28676539 0.54382590 1.0 Al Al12 1 0.57264351 0.42735649 0.92735649 1.0 Al Al13 1 0.42735649 0.92735649 0.57264351 1.0 Al Al14 1 0.92735649 0.57264351 0.42735649 1.0 Al Al15 1 0.07264351 0.07264351 0.07264351 1.0 Au Au16 1 0.17909153 0.82090847 0.32090847 1.0 Au Au17 1 0.32090847 0.17909153 0.82090847 1.0 Au Au18 1 0.82090847 0.32090847 0.17909153 1.0 Au Au19 1 0.67909153 0.67909153 0.67909153 1.0 N N20 1 0.87726305 0.12273695 0.62273695 1.0 N N21 1 0.62273695 0.87726305 0.12273695 1.0 N N22 1 0.12273695 0.62273695 0.87726305 1.0 N N23 1 0.37726305 0.37726305 0.37726305 1.0