# generated using pymatgen data_Hf5P12Ir4Ru15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.35887752 _cell_length_b 12.35887805 _cell_length_c 3.87049271 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000382 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5P12Ir4Ru15 _chemical_formula_sum 'Hf5 P12 Ir4 Ru15' _cell_volume 511.98229633 _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 0.33333300 0.66666700 0.00000000 1.0 Hf Hf1 1 0.66666700 0.33333300 0.00000000 1.0 Hf Hf2 1 0.80857078 0.99856727 0.50000000 1.0 Hf Hf3 1 0.00143273 0.81000252 0.50000000 1.0 Hf Hf4 1 0.18999748 0.19142922 0.50000000 1.0 P P5 1 0.17701681 0.99514306 0.00000000 1.0 P P6 1 0.00485694 0.18187375 0.00000000 1.0 P P7 1 0.81812625 0.82298319 0.00000000 1.0 P P8 1 0.17402239 0.48214273 0.50000000 1.0 P P9 1 0.51785727 0.69187967 0.50000000 1.0 P P10 1 0.30812033 0.82597761 0.50000000 1.0 P P11 1 0.68552685 0.51647993 0.50000000 1.0 P P12 1 0.83095208 0.31447315 0.50000000 1.0 P P13 1 0.48352007 0.16904792 0.50000000 1.0 P P14 1 0.62950012 0.99467792 0.00000000 1.0 P P15 1 0.00532208 0.63482120 0.00000000 1.0 P P16 1 0.36517880 0.37049988 0.00000000 1.0 Ir Ir17 1 0.81715993 0.63351560 0.00000000 1.0 Ir Ir18 1 0.81635567 0.18284007 0.00000000 1.0 Ir Ir19 1 0.36648440 0.18364433 0.00000000 1.0 Ir Ir20 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru21 1 0.45169525 0.00800772 0.00000000 1.0 Ru Ru22 1 0.99199228 0.44368753 0.00000000 1.0 Ru Ru23 1 0.55631247 0.54830475 0.00000000 1.0 Ru Ru24 1 0.36545160 0.49311927 0.50000000 1.0 Ru Ru25 1 0.50688073 0.87233233 0.50000000 1.0 Ru Ru26 1 0.12766767 0.63454840 0.50000000 1.0 Ru Ru27 1 0.86543981 0.50771073 0.50000000 1.0 Ru Ru28 1 0.64226991 0.13456019 0.50000000 1.0 Ru Ru29 1 0.49228927 0.35773009 0.50000000 1.0 Ru Ru30 1 0.18193681 0.37624502 0.00000000 1.0 Ru Ru31 1 0.62375498 0.80569278 0.00000000 1.0 Ru Ru32 1 0.19430722 0.81806319 0.00000000 1.0 Ru Ru33 1 0.28266370 0.00131741 0.50000000 1.0 Ru Ru34 1 0.99868259 0.28134629 0.50000000 1.0 Ru Ru35 1 0.71865371 0.71733630 0.50000000 1.0