data_[Tl2Sn4Cl8]
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 [P1]
_cell_length_a [6.5487]
_cell_length_b [8.8084]
_cell_length_c [9.1945]
_cell_angle_alpha [114.1323]
_cell_angle_beta [104.1241]
_cell_angle_gamma [101.5043]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl(SnCl2)2]
_chemical_formula_sum '[Tl2 Sn4 Cl8]'
_cell_volume [441.7456]
_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
[
  Tl  Tl0  1  0.0459  0.0352  0.9793  1.0
  Tl  Tl1  1  0.7204  0.4775  0.2443  1.0
  Sn  Sn2  1  0.3577  0.7166  0.1320  1.0
  Sn  Sn3  1  0.3683  0.2488  0.6247  1.0
  Sn  Sn4  1  0.3898  0.7484  0.6396  1.0
  Sn  Sn5  1  0.8597  0.2473  0.6006  1.0
  Cl  Cl6  1  0.0460  0.4055  0.9877  1.0
  Cl  Cl7  1  0.1788  0.8155  0.3903  1.0
  Cl  Cl8  1  0.3245  0.4241  0.3992  1.0
  Cl  Cl9  1  0.4309  0.1394  0.8635  1.0
  Cl  Cl10  1  0.5576  0.5812  0.8771  1.0
  Cl  Cl11  1  0.6898  0.0961  0.2579  1.0
  Cl  Cl12  1  0.7822  0.9349  0.5903  1.0
  Cl  Cl13  1  0.9984  0.6297  0.6637  1.0
]