data_[Tl8Sn8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0083]
_cell_length_b [8.0260]
_cell_length_c [5.6304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2Sn2O3]
_chemical_formula_sum '[Tl8 Sn8 O12]'
_cell_volume [585.0284]
_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  0.1258  0.1305  0.4202  1
  Sn  Sn1  8  0.1174  0.3803  0.9543  1
  O  O2  8  0.1900  0.4117  0.6220  1
  O  O3  4  0.0000  0.4847  0.2500  1
]