# generated using pymatgen data_Nd2Al6Ga6Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98935801 _cell_length_b 5.98935801 _cell_length_c 15.75691895 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Al6Ga6Ir _chemical_formula_sum 'Nd4 Al12 Ga12 Ir2' _cell_volume 565.23864713 _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 0.75000000 0.25000000 0.24514585 1.0 Nd Nd1 1 0.25000000 0.75000000 0.24514585 1.0 Nd Nd2 1 0.25000000 0.75000000 0.75356259 1.0 Nd Nd3 1 0.75000000 0.25000000 0.75356259 1.0 Al Al4 1 0.50007856 0.00007856 0.91376946 1.0 Al Al5 1 0.00007856 0.99992144 0.91376946 1.0 Al Al6 1 0.49992144 0.50007856 0.91376946 1.0 Al Al7 1 0.99992144 0.49992144 0.91376946 1.0 Al Al8 1 0.49994441 0.99994441 0.08555045 1.0 Al Al9 1 0.99994441 0.00005559 0.08555045 1.0 Al Al10 1 0.50005559 0.49994441 0.08555045 1.0 Al Al11 1 0.00005559 0.50005559 0.08555045 1.0 Al Al12 1 0.57803448 0.07803448 0.43317830 1.0 Al Al13 1 0.07803448 0.92196552 0.43317830 1.0 Al Al14 1 0.42196552 0.57803448 0.43317830 1.0 Al Al15 1 0.92196552 0.42196552 0.43317830 1.0 Ga Ga16 1 0.25000000 0.25000000 0.18829368 1.0 Ga Ga17 1 0.75000000 0.75000000 0.18829368 1.0 Ga Ga18 1 0.75000000 0.75000000 0.81111451 1.0 Ga Ga19 1 0.25000000 0.25000000 0.81111451 1.0 Ga Ga20 1 0.25000000 0.25000000 0.34392495 1.0 Ga Ga21 1 0.75000000 0.75000000 0.34392495 1.0 Ga Ga22 1 0.75000000 0.75000000 0.65499213 1.0 Ga Ga23 1 0.25000000 0.25000000 0.65499213 1.0 Ga Ga24 1 0.41917150 0.91917150 0.56902317 1.0 Ga Ga25 1 0.91917150 0.08082850 0.56902317 1.0 Ga Ga26 1 0.58082850 0.41917150 0.56902317 1.0 Ga Ga27 1 0.08082850 0.58082850 0.56902317 1.0 Ir Ir28 1 0.75000000 0.25000000 0.99992455 1.0 Ir Ir29 1 0.25000000 0.75000000 0.99992455 1.0