data_[La8Tb38Th12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [I23]
_cell_length_a [12.5625]
_cell_length_b [12.5625]
_cell_length_c [12.5625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [La4Tb19Th6]
_chemical_formula_sum '[La8 Tb38 Th12]'
_cell_volume [1982.5745]
_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  0.0634  0.2780  0.7405  1
  Tb  Tb1  12  0.0000  0.0000  0.2655  1
  La  La2  8  0.1808  0.1808  0.1808  1
  Tb  Tb3  2  0.0000  0.0000  0.0000  1
  Th  Th4  12  0.0000  0.1289  0.5000  1
]