# generated using pymatgen data_Hf3B2IrRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49326489 _cell_length_b 9.48441674 _cell_length_c 3.09369753 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.96861808 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3B2IrRu4 _chemical_formula_sum 'Hf6 B4 Ir2 Ru8' _cell_volume 278.55054565 _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 0.82874117 0.67533685 0.00000000 1.0 Hf Hf1 1 0.17125883 0.32466315 0.00000000 1.0 Hf Hf2 1 0.32006730 0.82481260 0.00000000 1.0 Hf Hf3 1 0.67993270 0.17518740 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 B B6 1 0.62536392 0.88575383 0.00000000 1.0 B B7 1 0.37463608 0.11424617 0.00000000 1.0 B B8 1 0.12148922 0.62114766 0.00000000 1.0 B B9 1 0.87851078 0.37885234 0.00000000 1.0 Ir Ir10 1 0.57137065 0.72193100 0.50000000 1.0 Ir Ir11 1 0.42862935 0.27806900 0.50000000 1.0 Ru Ru12 1 0.07232260 0.77921710 0.50000000 1.0 Ru Ru13 1 0.92767740 0.22078290 0.50000000 1.0 Ru Ru14 1 0.28014862 0.57039167 0.50000000 1.0 Ru Ru15 1 0.71985138 0.42960833 0.50000000 1.0 Ru Ru16 1 0.22034415 0.07232608 0.50000000 1.0 Ru Ru17 1 0.77965585 0.92767392 0.50000000 1.0 Ru Ru18 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru19 1 0.00000000 0.50000000 0.50000000 1.0