data_[Th4Cl16F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0656]
_cell_length_b [8.6134]
_cell_length_c [6.6153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2Cl8F]
_chemical_formula_sum '[Th4 Cl16 F2]'
_cell_volume [665.8667]
_cell_formula_units_Z [2]
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  0.1978  0.0000  0.0137  1
  Cl  Cl1  8  0.1512  0.3007  0.1258  1
  Cl  Cl2  4  0.1110  0.0000  0.5719  1
  Cl  Cl3  4  0.1517  0.5000  0.6374  1
  F  F4  2  0.0000  0.0000  0.0000  1
]