# generated using pymatgen data_Tb20Cd3Ru2Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61822005 _cell_length_b 9.61822007 _cell_length_c 9.55529615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000333 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb20Cd3Ru2Au3 _chemical_formula_sum 'Tb20 Cd3 Ru2 Au3' _cell_volume 765.53347814 _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 0.45579240 1.0 Tb Tb1 1 0.00000000 0.00000000 0.04420760 1.0 Tb Tb2 1 0.20875919 0.79124081 0.43837226 1.0 Tb Tb3 1 0.20875919 0.41752037 0.43837226 1.0 Tb Tb4 1 0.58247963 0.79124081 0.43837226 1.0 Tb Tb5 1 0.79193912 0.20806088 0.55910537 1.0 Tb Tb6 1 0.79193912 0.58387625 0.55910537 1.0 Tb Tb7 1 0.41612375 0.20806088 0.55910537 1.0 Tb Tb8 1 0.79193912 0.20806088 0.94089463 1.0 Tb Tb9 1 0.79193912 0.58387625 0.94089463 1.0 Tb Tb10 1 0.41612375 0.20806088 0.94089463 1.0 Tb Tb11 1 0.20875919 0.79124081 0.06162774 1.0 Tb Tb12 1 0.20875919 0.41752037 0.06162774 1.0 Tb Tb13 1 0.58247963 0.79124081 0.06162774 1.0 Tb Tb14 1 0.54058826 0.45941174 0.25000000 1.0 Tb Tb15 1 0.54058826 0.08117753 0.25000000 1.0 Tb Tb16 1 0.91882247 0.45941174 0.25000000 1.0 Tb Tb17 1 0.45853842 0.54146158 0.75000000 1.0 Tb Tb18 1 0.45853842 0.91707685 0.75000000 1.0 Tb Tb19 1 0.08292315 0.54146158 0.75000000 1.0 Cd Cd20 1 0.10896780 0.89103220 0.75000000 1.0 Cd Cd21 1 0.10896780 0.21793460 0.75000000 1.0 Cd Cd22 1 0.78206540 0.89103220 0.75000000 1.0 Ru Ru23 1 0.33333300 0.66666700 0.25000000 1.0 Ru Ru24 1 0.66666700 0.33333300 0.75000000 1.0 Au Au25 1 0.86791357 0.13208643 0.25000000 1.0 Au Au26 1 0.86791357 0.73583014 0.25000000 1.0 Au Au27 1 0.26416986 0.13208643 0.25000000 1.0