# generated using pymatgen data_Nd4ZrRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.15195689 _cell_length_b 11.15195689 _cell_length_c 6.32070522 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4ZrRh3 _chemical_formula_sum 'Nd16 Zr4 Rh12' _cell_volume 786.08172670 _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 0.08679521 0.28689108 0.12063138 1.0 Nd Nd1 1 0.78689108 0.41320479 0.12063138 1.0 Nd Nd2 1 0.21310892 0.58679521 0.12063138 1.0 Nd Nd3 1 0.91320479 0.71310892 0.12063138 1.0 Nd Nd4 1 0.41320479 0.78689108 0.37936862 1.0 Nd Nd5 1 0.58679521 0.21310892 0.37936862 1.0 Nd Nd6 1 0.28689108 0.08679521 0.37936862 1.0 Nd Nd7 1 0.71310892 0.91320479 0.37936862 1.0 Nd Nd8 1 0.41320479 0.21310892 0.87936862 1.0 Nd Nd9 1 0.71310892 0.08679521 0.87936862 1.0 Nd Nd10 1 0.28689108 0.91320479 0.87936862 1.0 Nd Nd11 1 0.58679521 0.78689108 0.87936862 1.0 Nd Nd12 1 0.08679521 0.71310892 0.62063138 1.0 Nd Nd13 1 0.91320479 0.28689108 0.62063138 1.0 Nd Nd14 1 0.21310892 0.41320479 0.62063138 1.0 Nd Nd15 1 0.78689108 0.58679521 0.62063138 1.0 Zr Zr16 1 0.00000000 0.00000000 0.00000000 1.0 Zr Zr17 1 0.50000000 0.50000000 0.00000000 1.0 Zr Zr18 1 0.50000000 0.50000000 0.50000000 1.0 Zr Zr19 1 0.00000000 0.00000000 0.50000000 1.0 Rh Rh20 1 0.13829619 0.86170381 0.25000000 1.0 Rh Rh21 1 0.36170381 0.36170381 0.25000000 1.0 Rh Rh22 1 0.63829619 0.63829619 0.25000000 1.0 Rh Rh23 1 0.86170381 0.13829619 0.25000000 1.0 Rh Rh24 1 0.36170381 0.63829619 0.75000000 1.0 Rh Rh25 1 0.13829619 0.13829619 0.75000000 1.0 Rh Rh26 1 0.86170381 0.86170381 0.75000000 1.0 Rh Rh27 1 0.63829619 0.36170381 0.75000000 1.0 Rh Rh28 1 0.00000000 0.50000000 0.38119639 1.0 Rh Rh29 1 0.50000000 0.00000000 0.11880361 1.0 Rh Rh30 1 0.50000000 0.00000000 0.61880361 1.0 Rh Rh31 1 0.00000000 0.50000000 0.88119639 1.0