# generated using pymatgen data_Nb3GaAuN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08711709 _cell_length_b 7.08711709 _cell_length_c 7.08711709 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3GaAuN _chemical_formula_sum 'Nb12 Ga4 Au4 N4' _cell_volume 355.96624992 _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 0.78660831 0.95512258 0.37852051 1.0 Nb Nb1 1 0.71339169 0.04487742 0.87852051 1.0 Nb Nb2 1 0.21339169 0.45512258 0.12147949 1.0 Nb Nb3 1 0.28660831 0.54487742 0.62147949 1.0 Nb Nb4 1 0.95512258 0.37852051 0.78660831 1.0 Nb Nb5 1 0.04487742 0.87852051 0.71339169 1.0 Nb Nb6 1 0.45512258 0.12147949 0.21339169 1.0 Nb Nb7 1 0.54487742 0.62147949 0.28660831 1.0 Nb Nb8 1 0.37852051 0.78660831 0.95512258 1.0 Nb Nb9 1 0.87852051 0.71339169 0.04487742 1.0 Nb Nb10 1 0.12147949 0.21339169 0.45512258 1.0 Nb Nb11 1 0.62147949 0.28660831 0.54487742 1.0 Ga Ga12 1 0.57119075 0.42880925 0.92880925 1.0 Ga Ga13 1 0.42880925 0.92880925 0.57119075 1.0 Ga Ga14 1 0.92880925 0.57119075 0.42880925 1.0 Ga Ga15 1 0.07119075 0.07119075 0.07119075 1.0 Au Au16 1 0.18051827 0.81948173 0.31948173 1.0 Au Au17 1 0.31948173 0.18051827 0.81948173 1.0 Au Au18 1 0.81948173 0.31948173 0.18051827 1.0 Au Au19 1 0.68051827 0.68051827 0.68051827 1.0 N N20 1 0.87541180 0.12458820 0.62458820 1.0 N N21 1 0.62458820 0.87541180 0.12458820 1.0 N N22 1 0.12458820 0.62458820 0.87541180 1.0 N N23 1 0.37541180 0.37541180 0.37541180 1.0