# generated using pymatgen data_Tb5Hf3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.81587217 _cell_length_b 12.81587199 _cell_length_c 3.95523246 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Hf3(P3Ir4)4 _chemical_formula_sum 'Tb5 Hf3 P12 Ir16' _cell_volume 562.59901859 _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 0.33333300 0.66666700 0.00000000 1.0 Tb Tb1 1 0.66666700 0.33333300 0.00000000 1.0 Tb Tb2 1 0.81547723 0.00000000 0.50000000 1.0 Tb Tb3 1 0.00000000 0.81547723 0.50000000 1.0 Tb Tb4 1 0.18452277 0.18452277 0.50000000 1.0 Hf Hf5 1 0.44868214 0.00000000 0.00000000 1.0 Hf Hf6 1 1.00000000 0.44868214 0.00000000 1.0 Hf Hf7 1 0.55131786 0.55131786 0.00000000 1.0 P P8 1 0.17526078 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17526078 0.00000000 1.0 P P10 1 0.82473922 0.82473922 0.00000000 1.0 P P11 1 0.17007327 0.48219458 0.50000000 1.0 P P12 1 0.51780542 0.68787669 0.50000000 1.0 P P13 1 0.31212331 0.82992673 0.50000000 1.0 P P14 1 0.68787669 0.51780542 0.50000000 1.0 P P15 1 0.82992673 0.31212331 0.50000000 1.0 P P16 1 0.48219458 0.17007327 0.50000000 1.0 P P17 1 0.65036709 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65036709 0.00000000 1.0 P P19 1 0.34963291 0.34963291 0.00000000 1.0 Ir Ir20 1 0.35952037 0.49402462 0.50000000 1.0 Ir Ir21 1 0.50597538 0.86549575 0.50000000 1.0 Ir Ir22 1 0.13450425 0.64047963 0.50000000 1.0 Ir Ir23 1 0.86549575 0.50597538 0.50000000 1.0 Ir Ir24 1 0.64047963 0.13450425 0.50000000 1.0 Ir Ir25 1 0.49402462 0.35952037 0.50000000 1.0 Ir Ir26 1 0.17775186 0.37197742 0.00000000 1.0 Ir Ir27 1 0.62802258 0.80577544 0.00000000 1.0 Ir Ir28 1 0.19422456 0.82224814 0.00000000 1.0 Ir Ir29 1 0.80577544 0.62802258 0.00000000 1.0 Ir Ir30 1 0.82224814 0.19422456 0.00000000 1.0 Ir Ir31 1 0.37197742 0.17775186 0.00000000 1.0 Ir Ir32 1 0.28132967 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28132967 0.50000000 1.0 Ir Ir34 1 0.71867033 0.71867033 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0