data_[Th4C4Cl4]
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 [6.8394]
_cell_length_b [4.0934]
_cell_length_c [11.0511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThCCl]
_chemical_formula_sum '[Th4 C4 Cl4]'
_cell_volume [296.4656]
_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  0.1612  0.0000  0.3526  1
  C  C1  4  0.0418  0.5000  0.4438  1
  Cl  Cl2  4  0.2443  0.5000  0.1754  1
]