# generated using pymatgen data_Zr6Al16Pd6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72735278 _cell_length_b 8.72735305 _cell_length_c 8.72735271 _cell_angle_alpha 59.99999755 _cell_angle_beta 59.99999656 _cell_angle_gamma 59.99999870 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Al16Pd6Ru _chemical_formula_sum 'Zr6 Al16 Pd6 Ru1' _cell_volume 470.03758172 _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 0.18861981 0.81138019 0.81138019 1.0 Zr Zr1 1 0.81138019 0.18861981 0.18861981 1.0 Zr Zr2 1 0.81138019 0.18861981 0.81138019 1.0 Zr Zr3 1 0.81138019 0.81138019 0.18861981 1.0 Zr Zr4 1 0.18861981 0.81138019 0.18861981 1.0 Zr Zr5 1 0.18861981 0.18861981 0.81138019 1.0 Al Al6 1 0.83325555 0.83325555 0.83325555 1.0 Al Al7 1 0.83325555 0.83325555 0.50023134 1.0 Al Al8 1 0.50023134 0.83325555 0.83325555 1.0 Al Al9 1 0.83325555 0.50023134 0.83325555 1.0 Al Al10 1 0.16674445 0.16674445 0.16674445 1.0 Al Al11 1 0.16674445 0.16674445 0.49976866 1.0 Al Al12 1 0.16674445 0.49976866 0.16674445 1.0 Al Al13 1 0.49976866 0.16674445 0.16674445 1.0 Al Al14 1 0.61799221 0.61799221 0.61799221 1.0 Al Al15 1 0.61799221 0.61799221 0.14602537 1.0 Al Al16 1 0.14602537 0.61799221 0.61799221 1.0 Al Al17 1 0.61799221 0.14602537 0.61799221 1.0 Al Al18 1 0.38200779 0.38200779 0.38200779 1.0 Al Al19 1 0.38200779 0.38200779 0.85397463 1.0 Al Al20 1 0.38200779 0.85397463 0.38200779 1.0 Al Al21 1 0.85397463 0.38200779 0.38200779 1.0 Pd Pd22 1 0.00000000 0.50000000 0.50000000 1.0 Pd Pd23 1 0.50000000 0.00000000 0.00000000 1.0 Pd Pd24 1 0.50000000 0.00000000 0.50000000 1.0 Pd Pd25 1 0.50000000 0.50000000 0.00000000 1.0 Pd Pd26 1 0.00000000 0.50000000 0.00000000 1.0 Pd Pd27 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru28 1 0.50000000 0.50000000 0.50000000 1.0