data_[Th2Tl4Br8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7994]
_cell_length_b [8.0193]
_cell_length_c [7.4526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThTl2(Br2Cl)2]
_chemical_formula_sum '[Th2 Tl4 Br8 Cl4]'
_cell_volume [746.3686]
_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  2  0.0000  0.0000  0.5000  1
  Tl  Tl1  4  0.2353  0.5000  0.7075  1
  Br  Br2  8  0.0798  0.2495  0.3216  1
  Cl  Cl3  4  0.1897  0.0000  0.8143  1
]