data_[Tl2Sn4Cl12]
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 [C2/m]
_cell_length_a [13.3031]
_cell_length_b [5.2715]
_cell_length_c [10.2439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl(SnCl3)2]
_chemical_formula_sum '[Tl2 Sn4 Cl12]'
_cell_volume [636.6995]
_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  2  0.0000  0.0000  0.5000  1
  Sn  Sn1  4  0.1826  0.0000  0.1384  1
  Cl  Cl2  4  0.0154  0.0000  0.1893  1
  Cl  Cl3  4  0.1687  0.5000  0.5960  1
  Cl  Cl4  4  0.1940  0.5000  0.1008  1
]