# generated using pymatgen data_Hf3Ni(BRu2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29710909 _cell_length_b 9.29710909 _cell_length_c 3.12245159 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ni(BRu2)2 _chemical_formula_sum 'Hf6 Ni2 B4 Ru8' _cell_volume 269.89296675 _cell_formula_units_Z 2 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 0.82100837 0.67899163 0.00000000 1.0 Hf Hf1 1 0.17899163 0.32100837 0.00000000 1.0 Hf Hf2 1 0.32100837 0.82100837 0.00000000 1.0 Hf Hf3 1 0.67899163 0.17899163 0.00000000 1.0 Hf Hf4 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf5 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni6 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni7 1 0.00000000 0.50000000 0.50000000 1.0 B B8 1 0.61317530 0.88682470 0.00000000 1.0 B B9 1 0.38682470 0.11317530 0.00000000 1.0 B B10 1 0.11317530 0.61317530 0.00000000 1.0 B B11 1 0.88682470 0.38682470 0.00000000 1.0 Ru Ru12 1 0.56173672 0.72909361 0.50000000 1.0 Ru Ru13 1 0.43826328 0.27090639 0.50000000 1.0 Ru Ru14 1 0.06173672 0.77090639 0.50000000 1.0 Ru Ru15 1 0.93826328 0.22909361 0.50000000 1.0 Ru Ru16 1 0.27090639 0.56173672 0.50000000 1.0 Ru Ru17 1 0.72909361 0.43826328 0.50000000 1.0 Ru Ru18 1 0.22909361 0.06173672 0.50000000 1.0 Ru Ru19 1 0.77090639 0.93826328 0.50000000 1.0