data_[Tl2Te2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1275]
_cell_length_b [9.8337]
_cell_length_c [10.4459]
_cell_angle_alpha [103.8227]
_cell_angle_beta [100.9840]
_cell_angle_gamma [103.8282]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlTeI3]
_chemical_formula_sum '[Tl2 Te2 I6]'
_cell_volume [479.1914]
_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  0.0207  0.7399  0.3126  1.0
  Te  Te1  2  0.4195  0.1732  0.1681  1.0
  I  I2  2  0.3233  0.1557  0.4306  1.0
  I  I3  2  0.3645  0.4589  0.1894  1.0
  I  I4  2  0.4911  0.8555  0.1194  1.0
]