# generated using pymatgen data_Nd3ThPd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33224839 _cell_length_b 4.64413099 _cell_length_c 5.72938365 _cell_angle_alpha 90.00000000 _cell_angle_beta 88.80134257 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3ThPd4 _chemical_formula_sum 'Nd3 Th1 Pd4' _cell_volume 195.05383293 _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 0.18646219 0.25000100 0.14668106 1.0 Nd Nd1 1 0.68421843 0.25000100 0.35477445 1.0 Nd Nd2 1 0.31327518 0.75000000 0.64486629 1.0 Th Th3 1 0.81505353 0.75000000 0.85504931 1.0 Pd Pd4 1 0.46291108 0.75000000 0.14375485 1.0 Pd Pd5 1 0.95204466 0.75000000 0.34500964 1.0 Pd Pd6 1 0.03336881 0.25000100 0.66113850 1.0 Pd Pd7 1 0.55266713 0.25000100 0.84872589 1.0