# generated using pymatgen data_Tb4HfIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.82272760 _cell_length_b 10.82272760 _cell_length_c 6.24967753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4HfIr3 _chemical_formula_sum 'Tb16 Hf4 Ir12' _cell_volume 732.03368273 _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 0.28831464 0.08539615 0.37865722 1.0 Tb Tb1 1 0.28831464 0.91460385 0.87865722 1.0 Tb Tb2 1 0.71168536 0.08539615 0.87865722 1.0 Tb Tb3 1 0.71168536 0.91460385 0.37865722 1.0 Tb Tb4 1 0.58539615 0.78831464 0.87865722 1.0 Tb Tb5 1 0.58539615 0.21168536 0.37865722 1.0 Tb Tb6 1 0.41460385 0.78831464 0.37865722 1.0 Tb Tb7 1 0.41460385 0.21168536 0.87865722 1.0 Tb Tb8 1 0.21168536 0.41460385 0.62134278 1.0 Tb Tb9 1 0.21168536 0.58539615 0.12134278 1.0 Tb Tb10 1 0.78831464 0.41460385 0.12134278 1.0 Tb Tb11 1 0.78831464 0.58539615 0.62134278 1.0 Tb Tb12 1 0.91460385 0.71168536 0.12134278 1.0 Tb Tb13 1 0.91460385 0.28831464 0.62134278 1.0 Tb Tb14 1 0.08539615 0.71168536 0.62134278 1.0 Tb Tb15 1 0.08539615 0.28831464 0.12134278 1.0 Hf Hf16 1 0.00000000 0.00000000 0.50000000 1.0 Hf Hf17 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf18 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85849877 0.14150123 0.25000000 1.0 Ir Ir21 1 0.85849877 0.85849877 0.75000000 1.0 Ir Ir22 1 0.14150123 0.14150123 0.75000000 1.0 Ir Ir23 1 0.14150123 0.85849877 0.25000000 1.0 Ir Ir24 1 0.64150123 0.35849877 0.75000000 1.0 Ir Ir25 1 0.64150123 0.64150123 0.25000000 1.0 Ir Ir26 1 0.35849877 0.35849877 0.25000000 1.0 Ir Ir27 1 0.35849877 0.64150123 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12228941 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62228941 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87771059 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37771059 1.0