data_[Tb4Ce12Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.8885]
_cell_length_b [15.5895]
_cell_length_c [3.3767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb2Ce6Th]
_chemical_formula_sum '[Tb4 Ce12 Th2]'
_cell_volume [520.5454]
_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  4  0.0000  0.3379  0.0000  1
  Ce  Ce1  8  0.1785  0.1685  0.5000  1
  Ce  Ce2  4  0.1941  0.5000  0.5000  1
  Th  Th3  2  0.0000  0.0000  0.0000  1
]