# generated using pymatgen data_Hf5B4MoRu10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08292139 _cell_length_b 9.41533800 _cell_length_c 9.41533800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5B4MoRu10 _chemical_formula_sum 'Hf5 B4 Mo1 Ru10' _cell_volume 273.29663332 _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 0.00000000 0.67650512 0.82543368 1.0 Hf Hf1 1 0.00000000 0.32349488 0.17456632 1.0 Hf Hf2 1 0.00000000 0.82543368 0.32349488 1.0 Hf Hf3 1 0.00000000 0.17456632 0.67650512 1.0 Hf Hf4 1 0.00000000 0.00000000 0.00000000 1.0 B B5 1 0.00000000 0.88005878 0.62229100 1.0 B B6 1 0.00000000 0.11994122 0.37770900 1.0 B B7 1 0.00000000 0.62229100 0.11994122 1.0 B B8 1 0.00000000 0.37770900 0.88005878 1.0 Mo Mo9 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru10 1 0.50000000 0.71433399 0.56641836 1.0 Ru Ru11 1 0.50000000 0.28566601 0.43358164 1.0 Ru Ru12 1 0.50000000 0.77864115 0.07592904 1.0 Ru Ru13 1 0.50000000 0.22135885 0.92407096 1.0 Ru Ru14 1 0.50000000 0.56641836 0.28566601 1.0 Ru Ru15 1 0.50000000 0.43358164 0.71433399 1.0 Ru Ru16 1 0.50000000 0.07592904 0.22135885 1.0 Ru Ru17 1 0.50000000 0.92407096 0.77864115 1.0 Ru Ru18 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru19 1 0.50000000 0.50000000 0.00000000 1.0