data_TlGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   4.8
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaAu2
_chemical_formula_sum   'Tl1 Ga1 Au2'
_cell_volume   90.85
_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  0.33  0.4  0.84  1.0
  Ga  Ga2  1  0.74  0.0  0.07  1.0
  Au  Au0  1  0.6  0.0  0.04  1.0
  Au  Au1  1  0.7  0.4  0.4  1.0

data_TlGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.8
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGaAu2
_chemical_formula_sum   'Tl1 Ga1 Au2'
_cell_volume   90.85
_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  0.33  0.4  0.84  1.0
  Ga  Ga1  1  0.74  0.0  0.07  1.0
  Au  Au2  1  0.6  0.0  0.04  1.0
  Au  Au3  1  0.7  0.4  0.4  1.0

Tl Ga Au Au
Au2TlGa crystallizes in the triclinic P1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to two equivalent Tl(1) and one Ga(1) atom. There is one shorter (2.34 Å) and one longer (3.18 Å) Au(1)-Tl(1) bond length. The Au(1)-Ga(1) bond length is 0.52 Å. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to three equivalent Tl(1) and one Ga(1) atom. There are a spread of Au(2)-Tl(1) bond distances ranging from 2.82-2.97 Å. The Au(2)-Ga(1) bond length is 2.55 Å. Tl(1) is bonded in a 5-coordinate geometry to two equivalent Au(1) and three equivalent Au(2) atoms. Ga(1) is bonded in a single-bond geometry to one Au(1) and one Au(2) atom.