data_TlF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   5.82
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlF
_chemical_formula_sum   'Tl4 F4'
_cell_volume   194.58
_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  1  0.84  0.92  0.31  1.0
  Tl  Tl1  1  0.55  0.9  0.93  1.0
  Tl  Tl2  1  0.55  0.01  0.31  1.0
  Tl  Tl3  1  0.84  0.8  0.93  1.0
  F  F4  1  0.91  0.35  0.31  1.0
  F  F5  1  0.48  0.46  0.93  1.0
  F  F6  1  0.48  0.44  0.31  1.0
  F  F7  1  0.91  0.37  0.93  1.0

data_TlF
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.24
_cell_length_b   5.82
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlF
_chemical_formula_sum   'Tl4 F4'
_cell_volume   194.58
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.31  0.9  0.15  1.0
  Tl  Tl1  2  0.31  0.99  0.85  1.0
  F  F2  2  0.31  0.46  0.22  1.0
  F  F3  2  0.31  0.56  0.78  1.0

Tl Tl Tl Tl F F F F
TlF crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four TlF clusters. Tl(1,2) is bonded in a 1-coordinate geometry to one F(1) atom. The Tl(1,2)-F(1) bond length is 2.55 Å. F(1) is bonded in a single-bond geometry to one Tl(1,2) atom.