data_[Tl24Br4O8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6735]
_cell_length_b [13.7697]
_cell_length_c [6.6657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl6BrO2F]
_chemical_formula_sum '[Tl24 Br4 O8 F4]'
_cell_volume [1215.8928]
_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  0.1168  0.0689  0.5431  1
  Tl  Tl1  8  0.1319  0.2975  0.2737  1
  Tl  Tl2  8  0.1402  0.4265  0.7797  1
  Br  Br3  4  0.0000  0.1972  0.7500  1
  O  O4  8  0.2151  0.4241  0.2011  1
  F  F5  4  0.0000  0.4246  0.2500  1
]