data_Tl3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   4.74
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Au
_chemical_formula_sum   'Tl3 Au1'
_cell_volume   114.67
_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  Tl1  1  0.89  0.37  0.77  1.0
  Tl  Tl2  1  0.05  0.0  0.08  1.0
  Tl  Tl3  1  0.13  0.37  0.39  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Tl3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.74
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Au
_chemical_formula_sum   'Tl3 Au1'
_cell_volume   114.67
_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  0.05  0.0  0.08  1.0
  Tl  Tl1  1  0.13  0.37  0.39  1.0
  Tl  Tl2  1  0.89  0.37  0.77  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Tl Tl Tl Au
AuTl3 crystallizes in the triclinic P1 space group. Au(1) is bonded in a distorted single-bond geometry to one Tl(1) and one Tl(2) atom. The Au(1)-Tl(1) bond length is 2.25 Å. The Au(1)-Tl(2) bond length is 0.51 Å. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Au(1) and two equivalent Tl(3) atoms. There is one shorter (2.87 Å) and one longer (3.23 Å) Tl(1)-Tl(3) bond length. In the second Tl site, Tl(2) is bonded in a single-bond geometry to one Au(1) and two equivalent Tl(3) atoms. There is one shorter (2.61 Å) and one longer (3.56 Å) Tl(2)-Tl(3) bond length. In the third Tl site, Tl(3) is bonded in a 4-coordinate geometry to two equivalent Tl(1) and two equivalent Tl(2) atoms.