# generated using pymatgen data_Al3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80859400 _cell_length_b 7.80859400 _cell_length_c 7.80859400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al3Ir _chemical_formula_sum 'Al24 Ir8' _cell_volume 476.12230576 _cell_formula_units_Z 8 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 Al Al0 1 0.79958200 0.33657600 0.50000000 1.0 Al Al1 1 0.66342400 0.50000000 0.79958200 1.0 Al Al2 1 0.50000000 0.20041800 0.66342400 1.0 Al Al3 1 0.20041800 0.66342400 0.50000000 1.0 Al Al4 1 0.33657600 0.50000000 0.20041800 1.0 Al Al5 1 0.50000000 0.79958200 0.33657600 1.0 Al Al6 1 0.79958200 0.66342400 0.50000000 1.0 Al Al7 1 0.66342400 0.50000000 0.20041800 1.0 Al Al8 1 0.20041800 0.33657600 0.50000000 1.0 Al Al9 1 0.33657600 0.50000000 0.79958200 1.0 Al Al10 1 0.50000000 0.79958200 0.66342400 1.0 Al Al11 1 0.50000000 0.20041800 0.33657600 1.0 Al Al12 1 0.29958200 0.00000000 0.83657600 1.0 Al Al13 1 0.16342400 0.29958200 0.00000000 1.0 Al Al14 1 0.00000000 0.16342400 0.70041800 1.0 Al Al15 1 0.70041800 0.00000000 0.16342400 1.0 Al Al16 1 0.83657600 0.70041800 0.00000000 1.0 Al Al17 1 0.00000000 0.83657600 0.29958200 1.0 Al Al18 1 0.29958200 0.00000000 0.16342400 1.0 Al Al19 1 0.16342400 0.70041800 0.00000000 1.0 Al Al20 1 0.70041800 0.00000000 0.83657600 1.0 Al Al21 1 0.83657600 0.29958200 0.00000000 1.0 Al Al22 1 0.00000000 0.16342400 0.29958200 1.0 Al Al23 1 0.00000000 0.83657600 0.70041800 1.0 Ir Ir24 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir26 1 0.00000000 0.50000000 0.75000000 1.0 Ir Ir27 1 0.50000000 0.25000000 0.00000000 1.0 Ir Ir28 1 0.75000000 0.00000000 0.50000000 1.0 Ir Ir29 1 0.00000000 0.50000000 0.25000000 1.0 Ir Ir30 1 0.50000000 0.75000000 0.00000000 1.0 Ir Ir31 1 0.25000000 0.00000000 0.50000000 1.0