data_[Pr4Nd8Th12]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3202]
_cell_length_b [5.0943]
_cell_length_c [11.5572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrNd2Th3]
_chemical_formula_sum '[Pr4 Nd8 Th12]'
_cell_volume [809.4010]
_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  0.1291  0.0000  0.1369  1
  Nd  Nd1  4  0.0377  0.5000  0.8624  1
  Nd  Nd2  4  0.2039  0.0000  0.8627  1
  Th  Th3  4  0.0442  0.0000  0.3828  1
  Th  Th4  4  0.1223  0.5000  0.6172  1
  Th  Th5  4  0.2110  0.5000  0.3829  1
]