data_[Tb14Th6]
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 [C2/m]
_cell_length_a [18.1616]
_cell_length_b [5.0631]
_cell_length_c [7.1068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb7Th3]
_chemical_formula_sum '[Tb14 Th6]'
_cell_volume [640.4047]
_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  0.1000  0.5000  0.8023  1
  Tb  Tb1  4  0.1008  0.5000  0.3019  1
  Tb  Tb2  4  0.1998  0.0000  0.1063  1
  Tb  Tb3  2  0.0000  0.0000  0.5000  1
  Th  Th4  4  0.2002  0.0000  0.5962  1
  Th  Th5  2  0.0000  0.0000  0.0000  1
]