# generated using pymatgen data_Zr2(Al3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.43547307 _cell_length_b 7.43547256 _cell_length_c 9.18763552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.78235130 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2(Al3Ir)3 _chemical_formula_sum 'Zr4 Al18 Ir6' _cell_volume 440.85917198 _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 Zr Zr0 1 0.99381025 0.67132699 0.25000000 1.0 Zr Zr1 1 0.00618975 0.32867301 0.75000000 1.0 Zr Zr2 1 0.67132699 0.99381025 0.25000000 1.0 Zr Zr3 1 0.32867301 0.00618975 0.75000000 1.0 Al Al4 1 0.12489116 0.12489116 0.25000000 1.0 Al Al5 1 0.87510884 0.87510884 0.75000000 1.0 Al Al6 1 0.99882787 0.33456036 0.07530842 1.0 Al Al7 1 0.00117213 0.66543964 0.92469158 1.0 Al Al8 1 0.00117213 0.66543964 0.57530842 1.0 Al Al9 1 0.33456036 0.99882787 0.42469158 1.0 Al Al10 1 0.99882787 0.33456036 0.42469158 1.0 Al Al11 1 0.66543964 0.00117213 0.57530842 1.0 Al Al12 1 0.66543964 0.00117213 0.92469158 1.0 Al Al13 1 0.33456036 0.99882787 0.07530842 1.0 Al Al14 1 0.33240566 0.33240566 0.55582124 1.0 Al Al15 1 0.66759434 0.66759434 0.44417876 1.0 Al Al16 1 0.66759434 0.66759434 0.05582124 1.0 Al Al17 1 0.33240566 0.33240566 0.94417876 1.0 Al Al18 1 0.33857095 0.55224023 0.25000000 1.0 Al Al19 1 0.66142905 0.44775977 0.75000000 1.0 Al Al20 1 0.55224023 0.33857095 0.25000000 1.0 Al Al21 1 0.44775977 0.66142905 0.75000000 1.0 Ir Ir22 1 0.67285694 0.32714306 0.00000000 1.0 Ir Ir23 1 0.32714306 0.67285694 0.00000000 1.0 Ir Ir24 1 0.32714306 0.67285694 0.50000000 1.0 Ir Ir25 1 0.67285694 0.32714306 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0