data_[Tb38Pr8Th12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [12.5498]
_cell_length_b [12.5498]
_cell_length_c [12.5498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Tb19(Pr2Th3)2]
_chemical_formula_sum '[Tb38 Pr8 Th12]'
_cell_volume [1976.5635]
_cell_formula_units_Z [2]
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
[
  Tb  Tb0  24  0.0640  0.2782  0.7405  1
  Tb  Tb1  12  0.0000  0.0000  0.2654  1
  Tb  Tb2  2  0.0000  0.0000  0.0000  1
  Pr  Pr3  8  0.1797  0.1797  0.1797  1
  Th  Th4  12  0.0000  0.1288  0.5000  1
]