# generated using pymatgen data_Hf12FeTc6Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58131583 _cell_length_b 6.45860032 _cell_length_c 13.73722861 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99996274 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf12FeTc6Ir5 _chemical_formula_sum 'Hf12 Fe1 Tc6 Ir5' _cell_volume 406.46931724 _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 0.50000100 0.25571163 0.00000000 1.0 Hf Hf1 1 0.50000100 0.74428837 0.00000000 1.0 Hf Hf2 1 0.99999731 0.25270191 0.16301461 1.0 Hf Hf3 1 0.99999731 0.74729909 0.16301461 1.0 Hf Hf4 1 0.49999667 0.24974471 0.33225758 1.0 Hf Hf5 1 0.49999667 0.75025529 0.33225758 1.0 Hf Hf6 1 0.00000000 0.25003533 0.50000000 1.0 Hf Hf7 1 0.00000000 0.74996467 0.50000000 1.0 Hf Hf8 1 0.50000233 0.24974471 0.66774242 1.0 Hf Hf9 1 0.50000233 0.75025529 0.66774242 1.0 Hf Hf10 1 0.00000269 0.25270191 0.83698539 1.0 Hf Hf11 1 0.00000269 0.74729909 0.83698539 1.0 Fe Fe12 1 0.00000000 0.49999900 0.00000000 1.0 Tc Tc13 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc14 1 0.49999637 0.49999900 0.16643658 1.0 Tc Tc15 1 0.99999677 0.00000000 0.33266185 1.0 Tc Tc16 1 0.50000100 0.49999900 0.50000000 1.0 Tc Tc17 1 0.00000323 0.00000000 0.66733815 1.0 Tc Tc18 1 0.50000363 0.49999900 0.83356242 1.0 Ir Ir19 1 0.49999930 0.00000000 0.16622560 1.0 Ir Ir20 1 0.99999901 0.49999900 0.33308738 1.0 Ir Ir21 1 0.50000100 0.00000000 0.50000000 1.0 Ir Ir22 1 0.00000099 0.49999900 0.66691362 1.0 Ir Ir23 1 0.49999970 0.00000000 0.83377440 1.0