data_TlAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   131.88
_cell_angle_beta   131.88
_cell_angle_gamma   70.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAu3
_chemical_formula_sum   'Tl1 Au3'
_cell_volume   80.39
_cell_formula_units_Z   1
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  Tl3  1  0.0  0.0  0.32  1.0
  Au  Au0  1  0.0  0.16  0.16  1.0
  Au  Au1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.16  0.0  0.16  1.0

data_TlAu3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   125.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlAu3
_chemical_formula_sum   'Tl2 Au6'
_cell_volume   160.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.32  1.0
  Au  Au1  4  0.42  0.42  0.0  1.0
  Au  Au2  2  0.0  0.0  0.0  1.0

Tl Au Au Au
Tl Au Au Au 0 1 o o o 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 
Au3Tl is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Au3Tl clusters. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted L-shaped geometry to one Au(2) and one Tl(1) atom. The Au(1)-Au(2) bond length is 0.68 Å. The Au(1)-Tl(1) bond length is 1.53 Å. In the second Au site, Au(2) is bonded in an L-shaped geometry to two equivalent Au(1) atoms. Tl(1) is bonded in a 2-coordinate geometry to two equivalent Au(1) atoms.