# generated using pymatgen data_Hf3Th2P7Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75528006 _cell_length_b 9.75527977 _cell_length_c 4.01541945 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999765 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Th2P7Ir9 _chemical_formula_sum 'Hf3 Th2 P7 Ir9' _cell_volume 330.93372735 _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 Hf Hf0 1 0.79065710 0.23185120 0.50000000 1.0 Hf Hf1 1 0.76814880 0.55880590 0.50000000 1.0 Hf Hf2 1 0.44119410 0.20934290 0.50000000 1.0 Th Th3 1 0.33333300 0.66666700 0.00000000 1.0 Th Th4 1 0.00000000 0.00000000 0.50000000 1.0 P P5 1 0.77654270 0.02791268 0.00000000 1.0 P P6 1 0.97208732 0.74863003 0.00000000 1.0 P P7 1 0.25136997 0.22345730 0.00000000 1.0 P P8 1 0.38389456 0.92421545 0.50000000 1.0 P P9 1 0.07578455 0.45967911 0.50000000 1.0 P P10 1 0.54032089 0.61610544 0.50000000 1.0 P P11 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir12 1 0.02694637 0.25187912 0.00000000 1.0 Ir Ir13 1 0.74812088 0.77506725 0.00000000 1.0 Ir Ir14 1 0.22493275 0.97305363 0.00000000 1.0 Ir Ir15 1 0.55081365 0.05563119 0.00000000 1.0 Ir Ir16 1 0.94436881 0.49518246 0.00000000 1.0 Ir Ir17 1 0.50481754 0.44918635 0.00000000 1.0 Ir Ir18 1 0.60880184 0.88294077 0.50000000 1.0 Ir Ir19 1 0.11705923 0.72585907 0.50000000 1.0 Ir Ir20 1 0.27414093 0.39119816 0.50000000 1.0