data_[Th8C4Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5342]
_cell_length_b [4.0741]
_cell_length_c [7.2095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2CCl2]
_chemical_formula_sum '[Th8 C4 Cl8]'
_cell_volume [597.7136]
_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  0.1746  0.0000  0.8799  1
  Th  Th1  4  0.1767  0.5000  0.4168  1
  C  C2  4  0.2077  0.0000  0.5922  1
  Cl  Cl3  4  0.0826  0.5000  0.7075  1
  Cl  Cl4  4  0.0927  0.0000  0.1856  1
]