# generated using pymatgen data_Nd4ErIr2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04892416 _cell_length_b 11.04892416 _cell_length_c 6.55632898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4ErIr2Ru _chemical_formula_sum 'Nd16 Er4 Ir8 Ru4' _cell_volume 800.38828343 _cell_formula_units_Z 4 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 0.29108198 0.08645984 0.38053372 1.0 Nd Nd1 1 0.29108198 0.91354016 0.88053372 1.0 Nd Nd2 1 0.70891802 0.08645984 0.88053372 1.0 Nd Nd3 1 0.70891802 0.91354016 0.38053372 1.0 Nd Nd4 1 0.58645984 0.79108198 0.88053372 1.0 Nd Nd5 1 0.58645984 0.20891802 0.38053372 1.0 Nd Nd6 1 0.41354016 0.79108198 0.38053372 1.0 Nd Nd7 1 0.41354016 0.20891802 0.88053372 1.0 Nd Nd8 1 0.20891802 0.41354016 0.61946628 1.0 Nd Nd9 1 0.20891802 0.58645984 0.11946628 1.0 Nd Nd10 1 0.79108198 0.41354016 0.11946628 1.0 Nd Nd11 1 0.79108198 0.58645984 0.61946628 1.0 Nd Nd12 1 0.91354016 0.70891802 0.11946628 1.0 Nd Nd13 1 0.91354016 0.29108198 0.61946628 1.0 Nd Nd14 1 0.08645984 0.70891802 0.61946628 1.0 Nd Nd15 1 0.08645984 0.29108198 0.11946628 1.0 Er Er16 1 0.00000000 0.00000000 0.50000000 1.0 Er Er17 1 0.00000000 0.00000000 0.00000000 1.0 Er Er18 1 0.50000000 0.50000000 0.00000000 1.0 Er Er19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85314923 0.14685077 0.25000000 1.0 Ir Ir21 1 0.85314923 0.85314923 0.75000000 1.0 Ir Ir22 1 0.14685077 0.14685077 0.75000000 1.0 Ir Ir23 1 0.14685077 0.85314923 0.25000000 1.0 Ir Ir24 1 0.64685077 0.35314923 0.75000000 1.0 Ir Ir25 1 0.64685077 0.64685077 0.25000000 1.0 Ir Ir26 1 0.35314923 0.35314923 0.25000000 1.0 Ir Ir27 1 0.35314923 0.64685077 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.11825229 1.0 Ru Ru29 1 0.50000000 0.00000000 0.61825229 1.0 Ru Ru30 1 0.00000000 0.50000000 0.88174771 1.0 Ru Ru31 1 0.00000000 0.50000000 0.38174771 1.0