# generated using pymatgen data_Nd16Y(ErIr4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.15602881 _cell_length_b 11.15602881 _cell_length_c 6.48504270 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd16Y(ErIr4)3 _chemical_formula_sum 'Nd16 Y1 Er3 Ir12' _cell_volume 807.10882247 _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 0.28973655 0.08782953 0.38462104 1.0 Nd Nd1 1 0.28928066 0.91279208 0.88443475 1.0 Nd Nd2 1 0.71071934 0.08720792 0.88443475 1.0 Nd Nd3 1 0.71026345 0.91217047 0.38462104 1.0 Nd Nd4 1 0.58703834 0.78895931 0.88469216 1.0 Nd Nd5 1 0.58775027 0.21118049 0.38439342 1.0 Nd Nd6 1 0.41224973 0.78881951 0.38439342 1.0 Nd Nd7 1 0.41296166 0.21104069 0.88469216 1.0 Nd Nd8 1 0.21118049 0.41224973 0.61560658 1.0 Nd Nd9 1 0.21104069 0.58703834 0.11530784 1.0 Nd Nd10 1 0.78895931 0.41296166 0.11530784 1.0 Nd Nd11 1 0.78881951 0.58775027 0.61560658 1.0 Nd Nd12 1 0.91279208 0.71071934 0.11556525 1.0 Nd Nd13 1 0.91217047 0.28973655 0.61537896 1.0 Nd Nd14 1 0.08782953 0.71026345 0.61537896 1.0 Nd Nd15 1 0.08720792 0.28928066 0.11556525 1.0 Y Y16 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 0.85140828 0.14941018 0.24758361 1.0 Ir Ir21 1 0.85058982 0.85140828 0.75241639 1.0 Ir Ir22 1 0.14941018 0.14859172 0.75241639 1.0 Ir Ir23 1 0.14859172 0.85058982 0.24758361 1.0 Ir Ir24 1 0.64792109 0.35258343 0.74978300 1.0 Ir Ir25 1 0.64741657 0.64792109 0.25021700 1.0 Ir Ir26 1 0.35258343 0.35207891 0.25021700 1.0 Ir Ir27 1 0.35207891 0.64741657 0.74978300 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12207584 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62132941 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87792416 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37867059 1.0