data_TlGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   131.9
_cell_angle_beta   131.9
_cell_angle_gamma   70.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaAu2
_chemical_formula_sum   'Tl1 Ga1 Au2'
_cell_volume   83.37
_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  0.18  0.0  0.19  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.38  1.0
  Au  Au1  1  0.0  0.18  0.19  1.0

data_TlGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   5.35
_cell_angle_alpha   114.05
_cell_angle_beta   114.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaAu2
_chemical_formula_sum   'Tl1 Ga1 Au2'
_cell_volume   83.37
_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  Tl0  1  0.19  0.01  0.01  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.01  0.19  0.01  1.0
  Au  Au3  1  0.38  0.38  0.38  1.0

Tl Ga Au Au
Au2TlGa is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Au2TlGa cluster. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Tl(1) atom. The Au(1)-Tl(1) bond length is 1.81 Å. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to one Tl(1) and one Ga(1) atom. The Au(2)-Tl(1) bond length is 1.13 Å. The Au(2)-Ga(1) bond length is 0.81 Å. Tl(1) is bonded in a 3-coordinate geometry to one Au(1), one Au(2), and one Ga(1) atom. The Tl(1)-Ga(1) bond length is 0.81 Å. Ga(1) is bonded in an L-shaped geometry to one Au(2) and one Tl(1) atom.