# generated using pymatgen data_NdY(ZrIr)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59490809 _cell_length_b 7.13555196 _cell_length_c 8.40925138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdY(ZrIr)2 _chemical_formula_sum 'Nd2 Y2 Zr4 Ir4' _cell_volume 275.71585202 _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 0.25000000 0.98743731 0.32327200 1.0 Nd Nd1 1 0.25000000 0.48743731 0.17672800 1.0 Y Y2 1 0.75000000 0.01551315 0.67939367 1.0 Y Y3 1 0.75000000 0.51551315 0.82060633 1.0 Zr Zr4 1 0.25000000 0.35827443 0.58274111 1.0 Zr Zr5 1 0.25000000 0.85827443 0.91725889 1.0 Zr Zr6 1 0.75000000 0.63864316 0.42980979 1.0 Zr Zr7 1 0.75000000 0.13864316 0.07019021 1.0 Ir Ir8 1 0.25000000 0.22713112 0.90818652 1.0 Ir Ir9 1 0.25000000 0.72713112 0.59181348 1.0 Ir Ir10 1 0.75000000 0.77299884 0.08170668 1.0 Ir Ir11 1 0.75000000 0.27299884 0.41829332 1.0