# generated using pymatgen data_Tb16Hf4(Ir3Rh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80488056 _cell_length_b 10.80488056 _cell_length_c 6.25670862 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb16Hf4(Ir3Rh)3 _chemical_formula_sum 'Tb16 Hf4 Ir9 Rh3' _cell_volume 730.44222598 _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 0.28775494 0.08594586 0.38172009 1.0 Tb Tb1 1 0.28780562 0.91280249 0.88130741 1.0 Tb Tb2 1 0.71219438 0.08719751 0.88130741 1.0 Tb Tb3 1 0.71224506 0.91405414 0.38172009 1.0 Tb Tb4 1 0.58719751 0.78780562 0.88130741 1.0 Tb Tb5 1 0.58594586 0.21224506 0.38172009 1.0 Tb Tb6 1 0.41405414 0.78775494 0.38172009 1.0 Tb Tb7 1 0.41280249 0.21219438 0.88130741 1.0 Tb Tb8 1 0.21139222 0.41376467 0.61738425 1.0 Tb Tb9 1 0.21220156 0.58701216 0.11965230 1.0 Tb Tb10 1 0.78779844 0.41298784 0.11965230 1.0 Tb Tb11 1 0.78860778 0.58623533 0.61738425 1.0 Tb Tb12 1 0.91298784 0.71220156 0.11965230 1.0 Tb Tb13 1 0.91376467 0.28860778 0.61738425 1.0 Tb Tb14 1 0.08623533 0.71139222 0.61738425 1.0 Tb Tb15 1 0.08701216 0.28779844 0.11965230 1.0 Hf Hf16 1 0.00000000 0.00000000 0.50009364 1.0 Hf Hf17 1 0.00000000 0.00000000 0.00000645 1.0 Hf Hf18 1 0.50000000 0.50000000 0.00000645 1.0 Hf Hf19 1 0.50000000 0.50000000 0.50009364 1.0 Ir Ir20 1 0.85750330 0.14157920 0.24972612 1.0 Ir Ir21 1 0.85770983 0.85815420 0.75000391 1.0 Ir Ir22 1 0.14229017 0.14184580 0.75000391 1.0 Ir Ir23 1 0.14249670 0.85842080 0.24972612 1.0 Ir Ir24 1 0.64184580 0.35770983 0.75000391 1.0 Ir Ir25 1 0.64157920 0.64249670 0.24972612 1.0 Ir Ir26 1 0.35842080 0.35750330 0.24972612 1.0 Ir Ir27 1 0.35815420 0.64229017 0.75000391 1.0 Ir Ir28 1 0.00000000 0.50000000 0.37205701 1.0 Rh Rh29 1 0.50000000 0.00000000 0.12554502 1.0 Rh Rh30 1 0.50000000 0.00000000 0.62651877 1.0 Rh Rh31 1 0.00000000 0.50000000 0.87650471 1.0