# generated using pymatgen data_Nd4Al5Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60957793 _cell_length_b 5.60957760 _cell_length_c 23.42549606 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999040 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Al5Ir9 _chemical_formula_sum 'Nd8 Al10 Ir18' _cell_volume 638.38079862 _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 Nd Nd0 1 0.33333300 0.66666700 0.52939631 1.0 Nd Nd1 1 0.66666700 0.33333300 0.47060369 1.0 Nd Nd2 1 0.66666700 0.33333300 0.02939631 1.0 Nd Nd3 1 0.33333300 0.66666700 0.97060369 1.0 Nd Nd4 1 0.33333300 0.66666700 0.67640162 1.0 Nd Nd5 1 0.66666700 0.33333300 0.32359838 1.0 Nd Nd6 1 0.66666700 0.33333300 0.17640162 1.0 Nd Nd7 1 0.33333300 0.66666700 0.82359838 1.0 Al Al8 1 0.00000000 0.00000000 0.00000000 1.0 Al Al9 1 0.00000000 0.00000000 0.50000000 1.0 Al Al10 1 0.33333300 0.66666700 0.16859109 1.0 Al Al11 1 0.66666700 0.33333300 0.83140891 1.0 Al Al12 1 0.66666700 0.33333300 0.66859109 1.0 Al Al13 1 0.33333300 0.66666700 0.33140891 1.0 Al Al14 1 0.00000000 0.00000000 0.16720001 1.0 Al Al15 1 0.00000000 0.00000000 0.83279999 1.0 Al Al16 1 0.00000000 0.00000000 0.66720001 1.0 Al Al17 1 0.00000000 0.00000000 0.33279999 1.0 Ir Ir18 1 0.16842472 0.33684845 0.08568864 1.0 Ir Ir19 1 0.83157528 0.66315155 0.91431136 1.0 Ir Ir20 1 0.66315155 0.83157528 0.08568864 1.0 Ir Ir21 1 0.83157528 0.66315155 0.58568864 1.0 Ir Ir22 1 0.33684845 0.16842472 0.91431136 1.0 Ir Ir23 1 0.16842472 0.33684845 0.41431136 1.0 Ir Ir24 1 0.16842472 0.83157528 0.08568864 1.0 Ir Ir25 1 0.33684845 0.16842472 0.58568864 1.0 Ir Ir26 1 0.83157528 0.16842472 0.91431136 1.0 Ir Ir27 1 0.66315155 0.83157528 0.41431136 1.0 Ir Ir28 1 0.83157528 0.16842472 0.58568864 1.0 Ir Ir29 1 0.16842472 0.83157528 0.41431136 1.0 Ir Ir30 1 0.16621387 0.33242473 0.25000000 1.0 Ir Ir31 1 0.83378613 0.66757527 0.75000000 1.0 Ir Ir32 1 0.66757527 0.83378613 0.25000000 1.0 Ir Ir33 1 0.33242473 0.16621387 0.75000000 1.0 Ir Ir34 1 0.16621387 0.83378613 0.25000000 1.0 Ir Ir35 1 0.83378613 0.16621387 0.75000000 1.0