# generated using pymatgen data_Cd3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19576513 _cell_length_b 8.19576313 _cell_length_c 8.63507114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001220 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd3Au _chemical_formula_sum 'Cd18 Au6' _cell_volume 502.31413658 _cell_formula_units_Z 6 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 Cd Cd0 1 0.63385072 0.00000000 0.92223255 1.0 Cd Cd1 1 0.63385072 0.63385072 0.42223255 1.0 Cd Cd2 1 -0.00000000 0.36614928 0.42223255 1.0 Cd Cd3 1 0.00000000 0.63385072 0.92223255 1.0 Cd Cd4 1 0.36614928 0.36614928 0.92223255 1.0 Cd Cd5 1 0.36614928 -0.00000000 0.42223255 1.0 Cd Cd6 1 0.00000000 0.00000000 0.32831892 1.0 Cd Cd7 1 0.00000000 0.00000000 0.82831892 1.0 Cd Cd8 1 0.33333300 0.66666700 0.20443714 1.0 Cd Cd9 1 0.66666700 0.33333300 0.70443714 1.0 Cd Cd10 1 0.33333300 0.66666700 0.70443714 1.0 Cd Cd11 1 0.66666700 0.33333300 0.20443714 1.0 Cd Cd12 1 0.29491559 -0.00000000 0.07762021 1.0 Cd Cd13 1 0.29491559 0.29491559 0.57762021 1.0 Cd Cd14 1 0.00000000 0.70508441 0.57762021 1.0 Cd Cd15 1 -0.00000000 0.29491559 0.07762021 1.0 Cd Cd16 1 0.70508441 0.70508441 0.07762021 1.0 Cd Cd17 1 0.70508441 0.00000000 0.57762021 1.0 Au Au18 1 0.67064480 -0.00000000 0.25008250 1.0 Au Au19 1 0.67064480 0.67064480 0.75008250 1.0 Au Au20 1 0.00000000 0.32935520 0.75008250 1.0 Au Au21 1 -0.00000000 0.67064480 0.25008250 1.0 Au Au22 1 0.32935520 0.32935520 0.25008250 1.0 Au Au23 1 0.32935520 0.00000000 0.75008250 1.0