# generated using pymatgen data_Nd5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56010523 _cell_length_b 11.23401189 _cell_length_c 11.23401189 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Ir3 _chemical_formula_sum 'Nd20 Ir12' _cell_volume 827.90511217 _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 0.11276710 0.04250346 0.34072195 1.0 Nd Nd1 1 0.11276710 0.15927805 0.04250346 1.0 Nd Nd2 1 0.11276710 0.34072195 0.45749654 1.0 Nd Nd3 1 0.11276710 0.45749654 0.15927805 1.0 Nd Nd4 1 0.38723290 0.54250346 0.65927805 1.0 Nd Nd5 1 0.38723290 0.95749654 0.84072195 1.0 Nd Nd6 1 0.38723290 0.84072195 0.54250346 1.0 Nd Nd7 1 0.38723290 0.65927805 0.95749654 1.0 Nd Nd8 1 0.88723290 0.95749654 0.65927805 1.0 Nd Nd9 1 0.88723290 0.84072195 0.95749654 1.0 Nd Nd10 1 0.88723290 0.65927805 0.54250346 1.0 Nd Nd11 1 0.88723290 0.54250346 0.84072195 1.0 Nd Nd12 1 0.61276710 0.45749654 0.34072195 1.0 Nd Nd13 1 0.61276710 0.04250346 0.15927805 1.0 Nd Nd14 1 0.61276710 0.15927805 0.45749654 1.0 Nd Nd15 1 0.61276710 0.34072195 0.04250346 1.0 Nd Nd16 1 0.00000000 0.75000000 0.25000000 1.0 Nd Nd17 1 0.00000000 0.25000000 0.75000000 1.0 Nd Nd18 1 0.50000000 0.25000000 0.75000000 1.0 Nd Nd19 1 0.50000000 0.75000000 0.25000000 1.0 Ir Ir20 1 0.25000000 0.59639310 0.40360690 1.0 Ir Ir21 1 0.25000000 0.09639310 0.59639310 1.0 Ir Ir22 1 0.25000000 0.40360690 0.90360690 1.0 Ir Ir23 1 0.25000000 0.90360690 0.09639310 1.0 Ir Ir24 1 0.75000000 0.40360690 0.59639310 1.0 Ir Ir25 1 0.75000000 0.90360690 0.40360690 1.0 Ir Ir26 1 0.75000000 0.59639310 0.09639310 1.0 Ir Ir27 1 0.75000000 0.09639310 0.90360690 1.0 Ir Ir28 1 0.37551330 0.25000000 0.25000000 1.0 Ir Ir29 1 0.12448570 0.75000000 0.75000000 1.0 Ir Ir30 1 0.62448670 0.75000000 0.75000000 1.0 Ir Ir31 1 0.87551330 0.25000000 0.25000000 1.0