data_[Tb13Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6511]
_cell_length_b [8.7656]
_cell_length_c [9.0591]
_cell_angle_alpha [69.0125]
_cell_angle_beta [83.7664]
_cell_angle_gamma [80.4674]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb13Th2]
_chemical_formula_sum '[Tb13 Th2]'
_cell_volume [485.6098]
_cell_formula_units_Z [1]
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  2  0.0954  0.4231  0.6904  1
  Tb  Tb1  2  0.1364  0.1979  0.2661  1
  Tb  Tb2  2  0.2377  0.5751  0.9742  1
  Tb  Tb3  2  0.3321  0.9999  0.6656  1
  Tb  Tb4  2  0.4306  0.4246  0.3594  1
  Tb  Tb5  2  0.4684  0.1963  0.9349  1
  Tb  Tb6  1  0.0000  0.0000  0.0000  1
  Th  Th7  2  0.2007  0.8086  0.3960  1
]