data_[Tb4Th8Ge12]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5639]
_cell_length_b [6.0395]
_cell_length_c [12.6891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbTh2Ge3]
_chemical_formula_sum '[Tb4 Th8 Ge12]'
_cell_volume [656.3071]
_cell_formula_units_Z [4]
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  0.1245  0.7500  0.0844  1
  Th  Th1  4  0.1256  0.7500  0.7486  1
  Th  Th2  4  0.1275  0.7500  0.4169  1
  Ge  Ge3  4  0.1216  0.2500  0.0824  1
  Ge  Ge4  4  0.1236  0.2500  0.7494  1
  Ge  Ge5  4  0.1274  0.2500  0.4185  1
]