data_[Tb4Th12C32]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.1785]
_cell_length_b [10.1680]
_cell_length_c [8.2527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [TbTh3C8]
_chemical_formula_sum '[Tb4 Th12 C32]'
_cell_volume [770.1990]
_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  0.0000  0.0000  0.9996  1
  Th  Th1  8  0.2500  0.2500  0.3069  1
  Th  Th2  4  0.0000  0.0000  0.5066  1
  C  C3  8  0.0000  0.1657  0.2262  1
  C  C4  8  0.0000  0.2337  0.0878  1
  C  C5  8  0.1619  0.0000  0.7514  1
  C  C6  8  0.2451  0.0000  0.3752  1
]