data_[Tl6Ag4I4F6]
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
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.7445]
_cell_length_b [5.7445]
_cell_length_c [21.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Tl3Ag2I2F3]
_chemical_formula_sum '[Tl6 Ag4 I4 F6]'
_cell_volume [708.7617]
_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  0.3848  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.0000  0.2173  1
  I  I3  4  0.0000  0.5000  0.2500  1
  F  F4  4  0.0000  0.0000  0.1120  1
  F  F5  2  0.0000  0.0000  0.5000  1
]