data_[Tl12F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [11.8941]
_cell_length_b [11.8941]
_cell_length_c [19.7063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [TlF]
_chemical_formula_sum '[Tl12 F12]'
_cell_volume [2787.8378]
_cell_formula_units_Z [12]
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  0.0689  0.2120  0.4672  1
  Tl  Tl1  2  0.0000  0.0000  0.3640  1
  Tl  Tl2  2  0.0000  0.5000  0.6028  1
  F  F3  8  0.0926  0.8137  0.5306  1
  F  F4  4  0.1117  0.3883  0.5211  1
]