data_[Tl4Sn2I12]
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 [P2_1/c]
_cell_length_a [7.9407]
_cell_length_b [8.5821]
_cell_length_c [13.7691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2SnI6]
_chemical_formula_sum '[Tl4 Sn2 I12]'
_cell_volume [773.3452]
_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  0.2201  0.0954  0.7483  1.0
  Sn  Sn1  2  0.5000  0.0000  0.5000  1.0
  I  I2  4  0.1549  0.1849  0.4566  1.0
  I  I3  4  0.2741  0.7110  0.4622  1.0
  I  I4  4  0.3359  0.0077  0.2501  1.0
]