data_[Tl2Cl2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6116]
_cell_length_b [13.1733]
_cell_length_c [3.5594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlClO6]
_chemical_formula_sum '[Tl2 Cl2 O12]'
_cell_volume [306.2881]
_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  0.5000  0.5000  1
  Cl  Cl1  2  0.0000  0.0000  0.0000  1
  O  O2  8  0.2469  0.2083  0.5785  1
  O  O3  4  0.2081  0.5000  0.9981  1
]