# generated using pymatgen data_Nd3In3Ir2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77932833 _cell_length_b 7.77932811 _cell_length_c 3.98641642 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000094 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3In3Ir2Au _chemical_formula_sum 'Nd3 In3 Ir2 Au1' _cell_volume 208.92840122 _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 Nd Nd0 1 0.98057542 0.58538365 0.50000000 1.0 Nd Nd1 1 0.60480923 0.01942458 0.50000000 1.0 Nd Nd2 1 0.41461635 0.39519077 0.50000000 1.0 In In3 1 0.99937713 0.24978552 0.00000000 1.0 In In4 1 0.25040839 0.00062287 0.00000000 1.0 In In5 1 0.75021448 0.74959161 0.00000000 1.0 Ir Ir6 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir7 1 0.66666700 0.33333300 0.00000000 1.0 Au Au8 1 0.33333300 0.66666700 0.00000000 1.0