# generated using pymatgen data_Nd4Al18ZnIr5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59319254 _cell_length_b 7.59319232 _cell_length_c 9.54357246 _cell_angle_alpha 89.91970430 _cell_angle_beta 89.91970208 _cell_angle_gamma 119.30514307 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Al18ZnIr5 _chemical_formula_sum 'Nd4 Al18 Zn1 Ir5' _cell_volume 479.82980621 _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 0.99506729 0.67606601 0.24852180 1.0 Nd Nd1 1 0.00493271 0.32393399 0.75147820 1.0 Nd Nd2 1 0.67606601 0.99506729 0.24852180 1.0 Nd Nd3 1 0.32393399 0.00493271 0.75147820 1.0 Al Al4 1 0.13913060 0.13913060 0.25832995 1.0 Al Al5 1 0.86086940 0.86086940 0.74167005 1.0 Al Al6 1 0.00563137 0.34610463 0.07679052 1.0 Al Al7 1 0.99436863 0.65389537 0.92320948 1.0 Al Al8 1 0.99856107 0.66380025 0.56937109 1.0 Al Al9 1 0.33619975 0.00143893 0.43062891 1.0 Al Al10 1 0.00143893 0.33619975 0.43062891 1.0 Al Al11 1 0.66380025 0.99856107 0.56937109 1.0 Al Al12 1 0.65389537 0.99436863 0.92320948 1.0 Al Al13 1 0.34610463 0.00563137 0.07679052 1.0 Al Al14 1 0.33396619 0.33396619 0.54486352 1.0 Al Al15 1 0.66603381 0.66603381 0.45513648 1.0 Al Al16 1 0.65516715 0.65516715 0.05558165 1.0 Al Al17 1 0.34483285 0.34483285 0.94441835 1.0 Al Al18 1 0.33987957 0.54920559 0.25178225 1.0 Al Al19 1 0.66012043 0.45079441 0.74821775 1.0 Al Al20 1 0.54920559 0.33987957 0.25178225 1.0 Al Al21 1 0.45079441 0.66012043 0.74821775 1.0 Zn Zn22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.67128570 0.32871430 0.00000000 1.0 Ir Ir24 1 0.32871430 0.67128570 1.00000000 1.0 Ir Ir25 1 0.32893373 0.67106627 0.50000000 1.0 Ir Ir26 1 0.67106627 0.32893373 0.50000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0