# generated using pymatgen data_Zr6Al16IrPd6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72945112 _cell_length_b 8.72945202 _cell_length_c 8.72945199 _cell_angle_alpha 60.00000383 _cell_angle_beta 60.00000041 _cell_angle_gamma 60.00000584 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al16IrPd6 _chemical_formula_sum 'Zr6 Al16 Ir1 Pd6' _cell_volume 470.37684650 _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 Zr Zr0 1 0.68755588 0.68755588 0.31244412 1.0 Zr Zr1 1 0.31244412 0.68755588 0.31244412 1.0 Zr Zr2 1 0.68755588 0.31244412 0.31244412 1.0 Zr Zr3 1 0.31244412 0.31244412 0.68755588 1.0 Zr Zr4 1 0.68755588 0.31244412 0.68755588 1.0 Zr Zr5 1 0.31244412 0.68755588 0.68755588 1.0 Al Al6 1 0.88105814 0.88105814 0.35682858 1.0 Al Al7 1 0.88105814 0.35682858 0.88105814 1.0 Al Al8 1 0.35682858 0.88105814 0.88105814 1.0 Al Al9 1 0.88105814 0.88105814 0.88105814 1.0 Al Al10 1 0.11894186 0.11894186 0.64317142 1.0 Al Al11 1 0.11894186 0.64317142 0.11894186 1.0 Al Al12 1 0.64317142 0.11894186 0.11894186 1.0 Al Al13 1 0.11894186 0.11894186 0.11894186 1.0 Al Al14 1 0.66695297 0.66695297 0.99914110 1.0 Al Al15 1 0.66695297 0.99914110 0.66695297 1.0 Al Al16 1 0.99914110 0.66695297 0.66695297 1.0 Al Al17 1 0.66695297 0.66695297 0.66695297 1.0 Al Al18 1 0.33304703 0.33304703 0.00085890 1.0 Al Al19 1 0.33304703 0.00085890 0.33304703 1.0 Al Al20 1 0.00085890 0.33304703 0.33304703 1.0 Al Al21 1 0.33304703 0.33304703 0.33304703 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Pd Pd23 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd24 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd25 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd26 1 0.50000000 0.50000000 0.00000000 1.0 Pd Pd27 1 0.00000000 0.50000000 0.00000000 1.0 Pd Pd28 1 0.50000000 0.00000000 0.00000000 1.0