# generated using pymatgen data_Tb5Pd2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01933360 _cell_length_b 11.01933360 _cell_length_c 6.41434920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Pd2Ru _chemical_formula_sum 'Tb20 Pd8 Ru4' _cell_volume 778.86692582 _cell_formula_units_Z 4 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 0.29809742 0.08643354 0.36709349 1.0 Tb Tb1 1 0.29809742 0.91356646 0.86709349 1.0 Tb Tb2 1 0.70190258 0.08643354 0.86709349 1.0 Tb Tb3 1 0.70190258 0.91356646 0.36709349 1.0 Tb Tb4 1 0.58643354 0.79809742 0.86709349 1.0 Tb Tb5 1 0.58643354 0.20190258 0.36709349 1.0 Tb Tb6 1 0.41356646 0.79809742 0.36709349 1.0 Tb Tb7 1 0.41356646 0.20190258 0.86709349 1.0 Tb Tb8 1 0.20190258 0.41356646 0.63290651 1.0 Tb Tb9 1 0.20190258 0.58643354 0.13290651 1.0 Tb Tb10 1 0.79809742 0.41356646 0.13290651 1.0 Tb Tb11 1 0.79809742 0.58643354 0.63290651 1.0 Tb Tb12 1 0.91356646 0.70190258 0.13290651 1.0 Tb Tb13 1 0.91356646 0.29809742 0.63290651 1.0 Tb Tb14 1 0.08643354 0.70190258 0.63290651 1.0 Tb Tb15 1 0.08643354 0.29809742 0.13290651 1.0 Tb Tb16 1 0.00000000 0.00000000 0.50000000 1.0 Tb Tb17 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb18 1 0.50000000 0.50000000 0.00000000 1.0 Tb Tb19 1 0.50000000 0.50000000 0.50000000 1.0 Pd Pd20 1 0.84660354 0.15339646 0.25000000 1.0 Pd Pd21 1 0.84660354 0.84660354 0.75000000 1.0 Pd Pd22 1 0.15339646 0.15339646 0.75000000 1.0 Pd Pd23 1 0.15339646 0.84660354 0.25000000 1.0 Pd Pd24 1 0.65339646 0.34660354 0.75000000 1.0 Pd Pd25 1 0.65339646 0.65339646 0.25000000 1.0 Pd Pd26 1 0.34660354 0.34660354 0.25000000 1.0 Pd Pd27 1 0.34660354 0.65339646 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.11668673 1.0 Ru Ru29 1 0.50000000 0.00000000 0.61668673 1.0 Ru Ru30 1 0.00000000 0.50000000 0.88331327 1.0 Ru Ru31 1 0.00000000 0.50000000 0.38331327 1.0