data_[Pr12Nd4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.5364]
_cell_length_b [7.1494]
_cell_length_c [10.7709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr3NdPd]
_chemical_formula_sum '[Pr12 Nd4 Pd4]'
_cell_volume [624.8439]
_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
[
  Pr  Pr0  4  0.0829  0.1427  0.3910  1.0
  Pr  Pr1  4  0.2331  0.0013  0.1375  1.0
  Pr  Pr2  4  0.4596  0.7272  0.9880  1.0
  Nd  Nd3  4  0.3109  0.0183  0.7294  1.0
  Pd  Pd4  4  0.0833  0.7275  0.3970  1.0
]