data_[Tl4I8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7716]
_cell_length_b [11.7585]
_cell_length_c [6.3052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl(IO3)2]
_chemical_formula_sum '[Tl4 I8 O24]'
_cell_volume [699.4773]
_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  4  0.0000  0.0912  0.7500  1.0
  I  I1  8  0.1742  0.3830  0.7121  1.0
  O  O2  8  0.1003  0.4036  0.9487  1.0
  O  O3  8  0.1380  0.0742  0.1411  1.0
  O  O4  8  0.1807  0.2276  0.6988  1.0
]