# generated using pymatgen data_Nd4Al18NiIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55985798 _cell_length_b 7.55985837 _cell_length_c 9.53172712 _cell_angle_alpha 90.12527320 _cell_angle_beta 90.12526047 _cell_angle_gamma 119.59228947 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Al18NiIr5 _chemical_formula_sum 'Nd4 Al18 Ni1 Ir5' _cell_volume 473.69090401 _cell_formula_units_Z 1 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 0.99461563 0.66876632 0.24946294 1.0 Nd Nd1 1 0.00538437 0.33123368 0.75053706 1.0 Nd Nd2 1 0.66876632 0.99461563 0.24946294 1.0 Nd Nd3 1 0.33123368 0.00538437 0.75053706 1.0 Al Al4 1 0.12833918 0.12833918 0.24751769 1.0 Al Al5 1 0.87166082 0.87166082 0.75248231 1.0 Al Al6 1 0.00230565 0.33254714 0.07195760 1.0 Al Al7 1 0.99769435 0.66745286 0.92804240 1.0 Al Al8 1 0.99745189 0.66603130 0.57165127 1.0 Al Al9 1 0.33396870 0.00254811 0.42834873 1.0 Al Al10 1 0.00254811 0.33396870 0.42834873 1.0 Al Al11 1 0.66603130 0.99745189 0.57165127 1.0 Al Al12 1 0.66745286 0.99769435 0.92804240 1.0 Al Al13 1 0.33254714 0.00230565 0.07195760 1.0 Al Al14 1 0.33475201 0.33475201 0.54611693 1.0 Al Al15 1 0.66524799 0.66524799 0.45388307 1.0 Al Al16 1 0.66701538 0.66701538 0.04436346 1.0 Al Al17 1 0.33298462 0.33298462 0.95563654 1.0 Al Al18 1 0.33815473 0.54418458 0.24936689 1.0 Al Al19 1 0.66184527 0.45581542 0.75063311 1.0 Al Al20 1 0.54418458 0.33815473 0.24936689 1.0 Al Al21 1 0.45581542 0.66184527 0.75063311 1.0 Ni Ni22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.67148943 0.32851057 0.00000000 1.0 Ir Ir24 1 0.32851057 0.67148943 1.00000000 1.0 Ir Ir25 1 0.32886045 0.67113955 0.50000000 1.0 Ir Ir26 1 0.67113955 0.32886045 0.50000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0