data_[Pr16Nd12Th8]
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/c]
_cell_length_a [15.0678]
_cell_length_b [13.5243]
_cell_length_c [6.4329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4Nd3Th2]
_chemical_formula_sum '[Pr16 Nd12 Th8]'
_cell_volume [1285.1974]
_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  8  0.0836  0.2115  0.5144  1
  Pr  Pr1  8  0.1859  0.3206  0.1246  1
  Nd  Nd2  8  0.1048  0.0591  0.9947  1
  Nd  Nd3  4  0.0000  0.4685  0.2500  1
  Th  Th4  8  0.2064  0.4298  0.6323  1
]