# generated using pymatgen data_YZr(Al3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47968693 _cell_length_b 7.46321623 _cell_length_c 9.30964443 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.69052760 _symmetry_Int_Tables_number 1 _chemical_formula_structural YZr(Al3Ir)3 _chemical_formula_sum 'Y2 Zr2 Al18 Ir6' _cell_volume 451.45978120 _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 Y Y0 1 0.67065130 0.99350707 0.25000000 1.0 Y Y1 1 0.32934870 0.00649293 0.75000000 1.0 Zr Zr2 1 0.99350998 0.67174210 0.25000000 1.0 Zr Zr3 1 0.00649002 0.32825790 0.75000000 1.0 Al Al4 1 0.12859687 0.12618998 0.25000000 1.0 Al Al5 1 0.87140313 0.87381002 0.75000000 1.0 Al Al6 1 0.00046445 0.33716559 0.07254583 1.0 Al Al7 1 0.99953555 0.66283441 0.92745417 1.0 Al Al8 1 0.99953555 0.66283441 0.57254583 1.0 Al Al9 1 0.33247316 0.99919380 0.42409686 1.0 Al Al10 1 0.00046445 0.33716559 0.42745417 1.0 Al Al11 1 0.66752684 0.00080620 0.57590314 1.0 Al Al12 1 0.66752684 0.00080620 0.92409686 1.0 Al Al13 1 0.33247316 0.99919380 0.07590314 1.0 Al Al14 1 0.33200332 0.33412600 0.55354903 1.0 Al Al15 1 0.66799668 0.66587400 0.44645097 1.0 Al Al16 1 0.66799668 0.66587400 0.05354903 1.0 Al Al17 1 0.33200332 0.33412600 0.94645097 1.0 Al Al18 1 0.33294809 0.54687302 0.25000000 1.0 Al Al19 1 0.66705191 0.45312698 0.75000000 1.0 Al Al20 1 0.55359664 0.34557376 0.25000000 1.0 Al Al21 1 0.44640336 0.65442624 0.75000000 1.0 Ir Ir22 1 0.67207086 0.32768418 0.99967312 1.0 Ir Ir23 1 0.32792914 0.67231582 0.00032688 1.0 Ir Ir24 1 0.32792914 0.67231582 0.49967312 1.0 Ir Ir25 1 0.67207086 0.32768418 0.50032688 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0