data_[Tl8Te4I20]
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 [Cmcm]
_cell_length_a [6.7866]
_cell_length_b [17.0077]
_cell_length_c [14.7542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl2TeI5]
_chemical_formula_sum '[Tl8 Te4 I20]'
_cell_volume [1702.9977]
_cell_formula_units_Z [4]
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  8  0.0000  0.1706  0.5864  1
  Te  Te1  4  0.0000  0.1682  0.2500  1
  I  I2  8  0.0000  0.0484  0.1116  1
  I  I3  8  0.0000  0.2966  0.1018  1
  I  I4  4  0.0000  0.3208  0.7500  1
]