data_[Tl4Sn6I16]
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 [17.3552]
_cell_length_b [9.2996]
_cell_length_c [8.0998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Sn3I8]
_chemical_formula_sum '[Tl4 Sn6 I16]'
_cell_volume [1242.7100]
_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  0.2430  0.5000  0.6668  1.0
  Sn  Sn1  4  0.0000  0.2590  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  I  I3  8  0.1109  0.2418  0.4017  1.0
  I  I4  4  0.1125  0.0000  0.9005  1.0
  I  I5  4  0.1146  0.5000  0.9397  1.0
]