# generated using pymatgen data_Tb20(Ir3Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81564426 _cell_length_b 10.81564426 _cell_length_c 6.44152880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb20(Ir3Ru)3 _chemical_formula_sum 'Tb20 Ir9 Ru3' _cell_volume 753.51819130 _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 0.29407195 0.08736561 0.38470034 1.0 Tb Tb1 1 0.29402910 0.91331898 0.88501991 1.0 Tb Tb2 1 0.70597090 0.08668102 0.88501991 1.0 Tb Tb3 1 0.70592805 0.91263439 0.38470034 1.0 Tb Tb4 1 0.58668102 0.79402910 0.88501991 1.0 Tb Tb5 1 0.58736561 0.20592805 0.38470034 1.0 Tb Tb6 1 0.41263439 0.79407195 0.38470034 1.0 Tb Tb7 1 0.41331898 0.20597090 0.88501991 1.0 Tb Tb8 1 0.20773565 0.41225292 0.61748530 1.0 Tb Tb9 1 0.20726423 0.58829887 0.11413636 1.0 Tb Tb10 1 0.79273577 0.41170113 0.11413636 1.0 Tb Tb11 1 0.79226435 0.58774708 0.61748530 1.0 Tb Tb12 1 0.91170113 0.70726423 0.11413636 1.0 Tb Tb13 1 0.91225292 0.29226435 0.61748530 1.0 Tb Tb14 1 0.08774708 0.70773565 0.61748530 1.0 Tb Tb15 1 0.08829887 0.29273577 0.11413636 1.0 Tb Tb16 1 0.00000000 0.00000000 0.49818249 1.0 Tb Tb17 1 0.00000000 0.00000000 0.99823323 1.0 Tb Tb18 1 0.50000000 0.50000000 0.99823323 1.0 Tb Tb19 1 0.50000000 0.50000000 0.49818249 1.0 Ir Ir20 1 0.84798756 0.15289174 0.24945050 1.0 Ir Ir21 1 0.84763236 0.84725934 0.74903244 1.0 Ir Ir22 1 0.15236764 0.15274066 0.74903244 1.0 Ir Ir23 1 0.15201244 0.84710826 0.24945050 1.0 Ir Ir24 1 0.65274066 0.34763236 0.74903244 1.0 Ir Ir25 1 0.65289174 0.65201244 0.24945050 1.0 Ir Ir26 1 0.34710826 0.34798756 0.24945050 1.0 Ir Ir27 1 0.34725934 0.65236764 0.74903244 1.0 Ir Ir28 1 0.00000000 0.50000000 0.37065916 1.0 Ru Ru29 1 0.50000000 0.00000000 0.13364563 1.0 Ru Ru30 1 0.50000000 0.00000000 0.63334764 1.0 Ru Ru31 1 0.00000000 0.50000000 0.87021275 1.0