# generated using pymatgen data_Tb3YbHfIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81132128 _cell_length_b 10.74179536 _cell_length_c 6.23060389 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3YbHfIr3 _chemical_formula_sum 'Tb12 Yb4 Hf4 Ir12' _cell_volume 723.57872702 _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 0.58414499 0.79386781 0.87070350 1.0 Tb Tb1 1 0.58414499 0.20613219 0.37070350 1.0 Tb Tb2 1 0.41585501 0.79386781 0.37070350 1.0 Tb Tb3 1 0.41585501 0.20613219 0.87070350 1.0 Tb Tb4 1 0.21303606 0.41461237 0.63157709 1.0 Tb Tb5 1 0.21303606 0.58538763 0.13157709 1.0 Tb Tb6 1 0.78696394 0.41461237 0.13157709 1.0 Tb Tb7 1 0.78696394 0.58538763 0.63157709 1.0 Tb Tb8 1 0.91380868 0.71294152 0.13275372 1.0 Tb Tb9 1 0.91380868 0.28705848 0.63275372 1.0 Tb Tb10 1 0.08619132 0.71294152 0.63275372 1.0 Tb Tb11 1 0.08619132 0.28705848 0.13275372 1.0 Yb Yb12 1 0.28786093 0.08307091 0.37146118 1.0 Yb Yb13 1 0.28786093 0.91692909 0.87146118 1.0 Yb Yb14 1 0.71213907 0.08307091 0.87146118 1.0 Yb Yb15 1 0.71213907 0.91692909 0.37146118 1.0 Hf Hf16 1 0.00000000 0.00000000 0.49512560 1.0 Hf Hf17 1 0.00000000 0.00000000 0.99512560 1.0 Hf Hf18 1 0.50000000 0.50000000 0.99476672 1.0 Hf Hf19 1 0.50000000 0.50000000 0.49476672 1.0 Ir Ir20 1 0.86281880 0.14649280 0.24938666 1.0 Ir Ir21 1 0.86281880 0.85350720 0.74938666 1.0 Ir Ir22 1 0.13718120 0.14649280 0.74938666 1.0 Ir Ir23 1 0.13718120 0.85350720 0.24938666 1.0 Ir Ir24 1 0.64061660 0.35928698 0.74544340 1.0 Ir Ir25 1 0.64061660 0.64071302 0.24544340 1.0 Ir Ir26 1 0.35938340 0.35928698 0.24544340 1.0 Ir Ir27 1 0.35938340 0.64071302 0.74544340 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12031951 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62031951 1.0 Ir Ir30 1 0.00000000 0.50000000 0.88713506 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38713506 1.0