# generated using pymatgen data_Hf6Al16Ir2Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68153372 _cell_length_b 8.69414614 _cell_length_c 8.67638110 _cell_angle_alpha 59.93225011 _cell_angle_beta 60.15721196 _cell_angle_gamma 59.95193431 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al16Ir2Pd5 _chemical_formula_sum 'Hf6 Al16 Ir2 Pd5' _cell_volume 463.21086814 _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 0.68404783 0.31558340 0.31902158 1.0 Hf Hf1 1 0.31595217 0.68441660 0.68097842 1.0 Hf Hf2 1 0.31438475 0.68231742 0.32098140 1.0 Hf Hf3 1 0.68561525 0.31768258 0.67901860 1.0 Hf Hf4 1 0.31595217 0.31865180 0.68097842 1.0 Hf Hf5 1 0.68404783 0.68134820 0.31902158 1.0 Al Al6 1 0.33448644 0.33577749 0.33552803 1.0 Al Al7 1 0.66551356 0.66422251 0.66447197 1.0 Al Al8 1 0.33522504 0.33537442 0.99402513 1.0 Al Al9 1 0.33448644 0.99420703 0.33552803 1.0 Al Al10 1 0.66477496 0.66462558 0.00597487 1.0 Al Al11 1 0.66551356 0.00579297 0.66447197 1.0 Al Al12 1 0.99418672 0.33491148 0.33598932 1.0 Al Al13 1 0.00581328 0.66508852 0.66401068 1.0 Al Al14 1 0.11721516 0.11781936 0.12654634 1.0 Al Al15 1 0.88278484 0.88218064 0.87345366 1.0 Al Al16 1 0.11556091 0.12400436 0.63643138 1.0 Al Al17 1 0.11721516 0.63841914 0.12654634 1.0 Al Al18 1 0.88443909 0.87599564 0.36356862 1.0 Al Al19 1 0.88278484 0.36158086 0.87345366 1.0 Al Al20 1 0.64035365 0.11962148 0.12040239 1.0 Al Al21 1 0.35964635 0.88037852 0.87959761 1.0 Ir Ir22 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir23 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd24 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd25 1 0.00000000 0.50000000 0.00000000 1.0 Pd Pd26 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd27 1 0.50000000 0.50000000 0.00000000 1.0 Pd Pd28 1 0.00000000 0.00000000 0.00000000 1.0