data_[Tl8In4Sn4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3168]
_cell_length_b [18.2802]
_cell_length_c [16.6227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2InSnCl5]
_chemical_formula_sum '[Tl8 In4 Sn4 Cl20]'
_cell_volume [1311.7209]
_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  4  0.0000  0.0528  0.6647  1.0
  Tl  Tl1  4  0.0000  0.1554  0.2553  1.0
  In  In2  4  0.0000  0.4462  0.4426  1.0
  Sn  Sn3  4  0.0000  0.2586  0.0322  1.0
  Cl  Cl4  4  0.0000  0.0949  0.0632  1.0
  Cl  Cl5  4  0.0000  0.2352  0.6521  1.0
  Cl  Cl6  4  0.0000  0.2570  0.4196  1.0
  Cl  Cl7  4  0.0000  0.4081  0.0235  1.0
  Cl  Cl8  4  0.0000  0.4659  0.7708  1.0
]