data_[Th8C4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1798]
_cell_length_b [4.1767]
_cell_length_c [11.6842]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.5544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2CBr3]
_chemical_formula_sum '[Th8 C4 Br12]'
_cell_volume [747.8113]
_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
[
  Th  Th0  4  0.0763  0.5000  0.4580  1
  Th  Th1  4  0.1316  0.0000  0.7782  1
  C  C2  4  0.0783  0.5000  0.6623  1
  Br  Br3  4  0.0402  0.0000  0.2364  1
  Br  Br4  4  0.1677  0.5000  0.0122  1
  Br  Br5  4  0.2229  0.0000  0.6186  1
]