# generated using pymatgen data_Tb3Th11Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.95730539 _cell_length_b 10.00254577 _cell_length_c 6.37517859 _cell_angle_alpha 90.33729878 _cell_angle_beta 89.77579797 _cell_angle_gamma 120.06496644 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Th11Ir6 _chemical_formula_sum 'Tb3 Th11 Ir6' _cell_volume 549.51921829 _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 0.46032938 0.53789380 0.29724508 1.0 Tb Tb1 1 0.07455293 0.53628638 0.30515537 1.0 Tb Tb2 1 0.92707218 0.46369945 0.80552853 1.0 Th Th3 1 0.25438562 0.12975025 0.50398174 1.0 Th Th4 1 0.54352073 0.08316415 0.79276499 1.0 Th Th5 1 0.74477543 0.87283724 0.00510717 1.0 Th Th6 1 0.66416737 0.33052025 0.28822019 1.0 Th Th7 1 0.12681029 0.86925770 0.00275335 1.0 Th Th8 1 0.45630006 0.91400815 0.29117085 1.0 Th Th9 1 0.54327203 0.46111079 0.79866166 1.0 Th Th10 1 0.87327225 0.12960559 0.50494470 1.0 Th Th11 1 0.12743786 0.25861491 0.00567019 1.0 Th Th12 1 0.86944708 0.74031353 0.50224608 1.0 Th Th13 1 0.33581802 0.66795665 0.77771755 1.0 Ir Ir14 1 0.81067080 0.62569165 0.05299440 1.0 Ir Ir15 1 0.81323014 0.18709468 0.05172473 1.0 Ir Ir16 1 0.62726208 0.81578955 0.54698165 1.0 Ir Ir17 1 0.37423872 0.18854409 0.04885499 1.0 Ir Ir18 1 0.18557053 0.37266913 0.55353766 1.0 Ir Ir19 1 0.18786750 0.81519105 0.54874012 1.0