# generated using pymatgen data_Hf3B2Ir2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50090327 _cell_length_b 9.47183090 _cell_length_c 3.11401740 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3B2Ir2Ru3 _chemical_formula_sum 'Hf6 B4 Ir4 Ru6' _cell_volume 280.23338115 _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 0.82546159 0.67403770 0.00000000 1.0 Hf Hf1 1 0.17453841 0.32596230 0.00000000 1.0 Hf Hf2 1 0.32546159 0.82596230 0.00000000 1.0 Hf Hf3 1 0.67453841 0.17403770 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 0.62480575 0.88328070 0.00000000 1.0 B B7 1 0.37519425 0.11671930 0.00000000 1.0 B B8 1 0.12480575 0.61671930 0.00000000 1.0 B B9 1 0.87519425 0.38328070 0.00000000 1.0 Ir Ir10 1 0.57259572 0.72206595 0.50000000 1.0 Ir Ir11 1 0.42740428 0.27793405 0.50000000 1.0 Ir Ir12 1 0.07259572 0.77793405 0.50000000 1.0 Ir Ir13 1 0.92740428 0.22206595 0.50000000 1.0 Ru Ru14 1 0.27981134 0.57109513 0.50000000 1.0 Ru Ru15 1 0.72018866 0.42890487 0.50000000 1.0 Ru Ru16 1 0.22018866 0.07109513 0.50000000 1.0 Ru Ru17 1 0.77981134 0.92890487 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