data_[Tl2Se2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.1539]
_cell_length_b [10.4364]
_cell_length_c [6.0649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlSeIO6]
_chemical_formula_sum '[Tl2 Se2 I2 O12]'
_cell_volume [326.2200]
_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  0.0000  0.9912  0.5000  1
  Se  Se1  2  0.0000  0.3077  0.0000  1
  I  I2  2  0.0000  0.6560  0.0000  1
  O  O3  4  0.1027  0.5359  0.7974  1
  O  O4  4  0.1681  0.1918  0.8245  1
  O  O5  4  0.1754  0.7910  0.8297  1
]