# generated using pymatgen data_Lu20Zn3Cd3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27436602 _cell_length_b 9.27436684 _cell_length_c 9.37867760 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000411 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu20Zn3Cd3Ru2 _chemical_formula_sum 'Lu20 Zn3 Cd3 Ru2' _cell_volume 698.61952989 _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 Lu Lu0 1 0.00000000 0.00000000 0.47609949 1.0 Lu Lu1 1 0.00000000 0.00000000 0.02390051 1.0 Lu Lu2 1 0.20891014 0.79108986 0.43936105 1.0 Lu Lu3 1 0.20891014 0.41781927 0.43936105 1.0 Lu Lu4 1 0.58218073 0.79108986 0.43936105 1.0 Lu Lu5 1 0.79035417 0.20964583 0.55581823 1.0 Lu Lu6 1 0.79035417 0.58070834 0.55581823 1.0 Lu Lu7 1 0.41929166 0.20964583 0.55581823 1.0 Lu Lu8 1 0.79035417 0.20964583 0.94418177 1.0 Lu Lu9 1 0.79035417 0.58070834 0.94418177 1.0 Lu Lu10 1 0.41929166 0.20964583 0.94418177 1.0 Lu Lu11 1 0.20891014 0.79108986 0.06063895 1.0 Lu Lu12 1 0.20891014 0.41781927 0.06063895 1.0 Lu Lu13 1 0.58218073 0.79108986 0.06063895 1.0 Lu Lu14 1 0.54133907 0.45866093 0.25000000 1.0 Lu Lu15 1 0.54133907 0.08267713 0.25000000 1.0 Lu Lu16 1 0.91732287 0.45866093 0.25000000 1.0 Lu Lu17 1 0.45938891 0.54061109 0.75000000 1.0 Lu Lu18 1 0.45938891 0.91877681 0.75000000 1.0 Lu Lu19 1 0.08122319 0.54061109 0.75000000 1.0 Zn Zn20 1 0.87935705 0.12064295 0.25000000 1.0 Zn Zn21 1 0.87935705 0.75871610 0.25000000 1.0 Zn Zn22 1 0.24128390 0.12064295 0.25000000 1.0 Cd Cd23 1 0.11041600 0.88958400 0.75000000 1.0 Cd Cd24 1 0.11041600 0.22083200 0.75000000 1.0 Cd Cd25 1 0.77916800 0.88958400 0.75000000 1.0 Ru Ru26 1 0.33333300 0.66666700 0.25000000 1.0 Ru Ru27 1 0.66666700 0.33333300 0.75000000 1.0