data_[Tb18Pr36Th3]
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 [R-3m]
_cell_length_a [13.4554]
_cell_length_b [13.4554]
_cell_length_c [12.9958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb6Pr12Th]
_chemical_formula_sum '[Tb18 Pr36 Th3]'
_cell_volume [2037.6414]
_cell_formula_units_Z [3]
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  18  0.0875  0.1751  0.7726  1
  Pr  Pr1  18  0.0000  0.2621  0.0000  1
  Pr  Pr2  18  0.0579  0.5290  0.1126  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]