data_[Tl8Sn8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [21.6803]
_cell_length_b [7.5472]
_cell_length_c [7.1936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Tl2Sn2Cl5]
_chemical_formula_sum '[Tl8 Sn8 Cl20]'
_cell_volume [1177.0583]
_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
[
  Tl  Tl0  8  0.1504  0.5604  0.0854  1
  Sn  Sn1  4  0.0000  0.0000  0.0208  1
  Sn  Sn2  4  0.2500  0.1942  0.9662  1
  Cl  Cl3  8  0.0503  0.6958  0.7933  1
  Cl  Cl4  8  0.1197  0.1604  0.9522  1
  Cl  Cl5  4  0.2500  0.5806  0.6874  1
]