# generated using pymatgen data_Y5Hf3(B6Ru)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57000739 _cell_length_b 9.02669499 _cell_length_c 11.39476871 _cell_angle_alpha 89.97616968 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Hf3(B6Ru)4 _chemical_formula_sum 'Y5 Hf3 B24 Ru4' _cell_volume 367.20058172 _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 Y Y0 1 0.00000000 0.32183106 0.41484237 1.0 Y Y1 1 0.00000000 0.67824277 0.58791663 1.0 Y Y2 1 0.00000000 0.82111782 0.08475071 1.0 Y Y3 1 0.00000000 0.17915983 0.91304918 1.0 Y Y4 1 0.00000000 0.94437248 0.37353763 1.0 Hf Hf5 1 0.00000000 0.05638817 0.62825897 1.0 Hf Hf6 1 0.00000000 0.44482341 0.12440281 1.0 Hf Hf7 1 0.00000000 0.55567992 0.87465745 1.0 B B8 1 0.50000000 0.55249193 0.43245330 1.0 B B9 1 0.50000000 0.44481649 0.56791092 1.0 B B10 1 0.50000000 0.05567060 0.06614249 1.0 B B11 1 0.50000000 0.94528449 0.93290642 1.0 B B12 1 0.50000000 0.74755572 0.41745412 1.0 B B13 1 0.50000000 0.24775945 0.58319311 1.0 B B14 1 0.50000000 0.25393509 0.08076985 1.0 B B15 1 0.50000000 0.74709815 0.91833187 1.0 B B16 1 0.50000000 0.79093705 0.26335597 1.0 B B17 1 0.50000000 0.20532883 0.73669949 1.0 B B18 1 0.50000000 0.29551702 0.23428065 1.0 B B19 1 0.50000000 0.70505699 0.76474160 1.0 B B20 1 0.50000000 0.62820268 0.18222280 1.0 B B21 1 0.50000000 0.37081246 0.81730682 1.0 B B22 1 0.50000000 0.13326041 0.31464442 1.0 B B23 1 0.50000000 0.87028511 0.68400441 1.0 B B24 1 0.50000000 0.98504352 0.21100857 1.0 B B25 1 0.50000000 0.01778820 0.78692888 1.0 B B26 1 0.50000000 0.48096156 0.28553848 1.0 B B27 1 0.50000000 0.51853140 0.71386359 1.0 B B28 1 0.50000000 0.60070585 0.02665396 1.0 B B29 1 0.50000000 0.39968354 0.97216843 1.0 B B30 1 0.50000000 0.10536035 0.47618639 1.0 B B31 1 0.50000000 0.89779180 0.53197400 1.0 Ru Ru32 1 0.00000000 0.63636096 0.31638845 1.0 Ru Ru33 1 0.00000000 0.35940033 0.68307694 1.0 Ru Ru34 1 0.00000000 0.14506755 0.17856822 1.0 Ru Ru35 1 0.00000000 0.85767803 0.81980612 1.0