# generated using pymatgen data_Tb20Cd3In3Ru2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.69403886 _cell_length_b 9.69403919 _cell_length_c 9.77683424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000226 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb20Cd3In3Ru2 _chemical_formula_sum 'Tb20 Cd3 In3 Ru2' _cell_volume 795.67992505 _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 Tb Tb0 1 0.00000000 0.00000000 0.50753102 1.0 Tb Tb1 1 0.00000000 0.00000000 0.99246898 1.0 Tb Tb2 1 0.20998902 0.79001098 0.43797609 1.0 Tb Tb3 1 0.20998902 0.41997905 0.43797609 1.0 Tb Tb4 1 0.58002095 0.79001098 0.43797609 1.0 Tb Tb5 1 0.78936078 0.21063922 0.56105259 1.0 Tb Tb6 1 0.78936078 0.57871955 0.56105259 1.0 Tb Tb7 1 0.42128045 0.21063922 0.56105259 1.0 Tb Tb8 1 0.78936078 0.21063922 0.93894741 1.0 Tb Tb9 1 0.78936078 0.57871955 0.93894741 1.0 Tb Tb10 1 0.42128045 0.21063922 0.93894741 1.0 Tb Tb11 1 0.20998902 0.79001098 0.06202391 1.0 Tb Tb12 1 0.20998902 0.41997905 0.06202391 1.0 Tb Tb13 1 0.58002095 0.79001098 0.06202391 1.0 Tb Tb14 1 0.54095034 0.45904966 0.25000000 1.0 Tb Tb15 1 0.54095034 0.08190069 0.25000000 1.0 Tb Tb16 1 0.91809931 0.45904966 0.25000000 1.0 Tb Tb17 1 0.45831746 0.54168254 0.75000000 1.0 Tb Tb18 1 0.45831746 0.91663592 0.75000000 1.0 Tb Tb19 1 0.08336408 0.54168254 0.75000000 1.0 Cd Cd20 1 0.11638690 0.88361310 0.75000000 1.0 Cd Cd21 1 0.11638690 0.23277279 0.75000000 1.0 Cd Cd22 1 0.76722721 0.88361310 0.75000000 1.0 In In23 1 0.88520405 0.11479595 0.25000000 1.0 In In24 1 0.88520405 0.77041010 0.25000000 1.0 In In25 1 0.22958990 0.11479595 0.25000000 1.0 Ru Ru26 1 0.33333300 0.66666700 0.25000000 1.0 Ru Ru27 1 0.66666700 0.33333300 0.75000000 1.0