data_TlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   4.42
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   108.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAu
_chemical_formula_sum   'Tl2 Au2'
_cell_volume   98.14
_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  Tl2  1  0.97  0.31  0.12  1.0
  Tl  Tl3  1  0.11  0.1  0.48  1.0
  Au  Au0  1  0.14  0.31  0.72  1.0
  Au  Au1  1  0.93  0.1  0.88  1.0

data_TlAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.96
_cell_length_b   4.42
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   108.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlAu
_chemical_formula_sum   'Tl2 Au2'
_cell_volume   98.14
_cell_formula_units_Z   2
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  0.07  0.9  0.18  1.0
  Au  Au1  2  0.1  0.1  0.42  1.0

Tl Tl Au Au
Tl Tl Au Au 0 3 o o - 1 2 o o o 2 3 - o o 
AuTl crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two AuTl clusters. Au(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Au(1)-Tl(1) bond length is 1.68 Å. Tl(1) is bonded in a single-bond geometry to one Au(1) atom.