# generated using pymatgen data_Tb20(Ru3Au)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.92235650 _cell_length_b 10.92235604 _cell_length_c 6.42492651 _cell_angle_alpha 89.88880228 _cell_angle_beta 89.88879686 _cell_angle_gamma 90.22685072 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb20(Ru3Au)3 _chemical_formula_sum 'Tb20 Ru9 Au3' _cell_volume 766.47111830 _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 0.29713765 0.08197297 0.36278827 1.0 Tb Tb1 1 0.29514561 0.90630741 0.87773766 1.0 Tb Tb2 1 0.69886903 0.08841702 0.86609184 1.0 Tb Tb3 1 0.69517355 0.90733998 0.36552501 1.0 Tb Tb4 1 0.57752354 0.78880450 0.87610745 1.0 Tb Tb5 1 0.57894157 0.20863212 0.37618060 1.0 Tb Tb6 1 0.40989229 0.78947898 0.37972961 1.0 Tb Tb7 1 0.41920673 0.20996946 0.87657980 1.0 Tb Tb8 1 0.21119550 0.42247646 0.62389255 1.0 Tb Tb9 1 0.21052102 0.59010771 0.12027039 1.0 Tb Tb10 1 0.79136788 0.42105843 0.12381940 1.0 Tb Tb11 1 0.79003054 0.58079327 0.62342020 1.0 Tb Tb12 1 0.91802703 0.70286235 0.13721173 1.0 Tb Tb13 1 0.91158298 0.30113097 0.63390816 1.0 Tb Tb14 1 0.09369259 0.70485439 0.62226234 1.0 Tb Tb15 1 0.09266002 0.30482645 0.13447499 1.0 Tb Tb16 1 0.00248440 0.99333531 0.49839997 1.0 Tb Tb17 1 0.00666469 0.99751560 0.00160003 1.0 Tb Tb18 1 0.50034480 0.49883896 0.00132071 1.0 Tb Tb19 1 0.50116104 0.49965520 0.49867929 1.0 Ru Ru20 1 0.14663184 0.85336816 0.25000000 1.0 Ru Ru21 1 0.65502408 0.34497592 0.75000000 1.0 Ru Ru22 1 0.65456792 0.65397454 0.24887530 1.0 Ru Ru23 1 0.34602546 0.34543208 0.25112470 1.0 Ru Ru24 1 0.34841880 0.65158120 0.75000000 1.0 Ru Ru25 1 0.49912358 0.99830975 0.11860100 1.0 Ru Ru26 1 0.49966616 0.99853039 0.62084043 1.0 Ru Ru27 1 0.00146961 0.50033384 0.87915957 1.0 Ru Ru28 1 0.00169025 0.50087642 0.38139900 1.0 Au Au29 1 0.84615928 0.15384072 0.25000000 1.0 Au Au30 1 0.84294510 0.84334355 0.75319105 1.0 Au Au31 1 0.15665645 0.15705490 0.74680895 1.0