data_[Tl2W4Br12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  W  2.3600  1.3500  0.7667
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.8211]
_cell_length_b [11.0047]
_cell_length_c [13.5774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TlW2(Br3O)2]
_chemical_formula_sum '[Tl2 W4 Br12 O4]'
_cell_volume [570.9233]
_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  0.0000  0.0000  1
  W  W1  4  0.0000  0.1336  0.5000  1
  Br  Br2  8  0.0000  0.3051  0.3708  1
  Br  Br3  4  0.0000  0.0000  0.3461  1
  O  O4  4  0.0000  0.3673  0.0000  1
]