data_[Tl4In8Sn4Cl20]
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 [4.9921]
_cell_length_b [17.1942]
_cell_length_c [14.8681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TlIn2SnCl5]
_chemical_formula_sum '[Tl4 In8 Sn4 Cl20]'
_cell_volume [1276.2025]
_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  0.2583  0.9763  1.0
  In  In1  4  0.0000  0.1126  0.7224  1.0
  In  In2  4  0.0000  0.1629  0.2310  1.0
  Sn  Sn3  4  0.0000  0.4731  0.4630  1.0
  Cl  Cl4  4  0.0000  0.0721  0.0287  1.0
  Cl  Cl5  4  0.0000  0.2533  0.6268  1.0
  Cl  Cl6  4  0.0000  0.3058  0.3418  1.0
  Cl  Cl7  4  0.0000  0.4110  0.8418  1.0
  Cl  Cl8  4  0.0000  0.4238  0.0921  1.0
]