data_[Tl6Ag4Br6F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7239]
_cell_length_b [4.7239]
_cell_length_c [26.1599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tl3Ag2Br3F2]
_chemical_formula_sum '[Tl6 Ag4 Br6 F4]'
_cell_volume [583.7668]
_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  4  0.0000  0.0000  0.3542  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.0000  0.2277  1
  Br  Br3  4  0.0000  0.0000  0.1249  1
  Br  Br4  2  0.0000  0.0000  0.5000  1
  F  F5  4  0.0000  0.5000  0.2500  1
]