# generated using pymatgen data_Nd4ErIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.14629683 _cell_length_b 11.14629683 _cell_length_c 6.47920848 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4ErIr3 _chemical_formula_sum 'Nd16 Er4 Ir12' _cell_volume 804.97642804 _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 0.28899744 0.08732703 0.38503634 1.0 Nd Nd1 1 0.28899744 0.91267297 0.88503634 1.0 Nd Nd2 1 0.71100256 0.08732703 0.88503634 1.0 Nd Nd3 1 0.71100256 0.91267297 0.38503634 1.0 Nd Nd4 1 0.58732703 0.78899744 0.88503634 1.0 Nd Nd5 1 0.58732703 0.21100256 0.38503634 1.0 Nd Nd6 1 0.41267297 0.78899744 0.38503634 1.0 Nd Nd7 1 0.41267297 0.21100256 0.88503634 1.0 Nd Nd8 1 0.21100256 0.41267297 0.61496366 1.0 Nd Nd9 1 0.21100256 0.58732703 0.11496366 1.0 Nd Nd10 1 0.78899744 0.41267297 0.11496366 1.0 Nd Nd11 1 0.78899744 0.58732703 0.61496366 1.0 Nd Nd12 1 0.91267297 0.71100256 0.11496366 1.0 Nd Nd13 1 0.91267297 0.28899744 0.61496366 1.0 Nd Nd14 1 0.08732703 0.71100256 0.61496366 1.0 Nd Nd15 1 0.08732703 0.28899744 0.11496366 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 0.85216077 0.14783923 0.25000000 1.0 Ir Ir21 1 0.85216077 0.85216077 0.75000000 1.0 Ir Ir22 1 0.14783923 0.14783923 0.75000000 1.0 Ir Ir23 1 0.14783923 0.85216077 0.25000000 1.0 Ir Ir24 1 0.64783923 0.35216077 0.75000000 1.0 Ir Ir25 1 0.64783923 0.64783923 0.25000000 1.0 Ir Ir26 1 0.35216077 0.35216077 0.25000000 1.0 Ir Ir27 1 0.35216077 0.64783923 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12158839 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62158839 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87841161 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37841161 1.0