data_[Tl4Sn2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4017]
_cell_length_b [4.7229]
_cell_length_c [9.4612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2SnI4]
_chemical_formula_sum '[Tl4 Sn2 I8]'
_cell_volume [645.9779]
_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  4  0.2037  0.5000  0.6794  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.1037  0.0000  0.3827  1.0
  I  I3  4  0.1388  0.5000  0.0118  1.0
]