data_BaTlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlAu2
_chemical_formula_sum   'Ba1 Tl1 Au2'
_cell_volume   115.01
_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
  Ba  Ba2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.62  0.62  0.0  1.0
  Au  Au0  1  0.0  0.62  0.1  1.0
  Au  Au1  1  0.62  0.0  0.1  1.0

data_BaTlAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   4.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTlAu2
_chemical_formula_sum   'Ba2 Tl2 Au4'
_cell_volume   230.02
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.12  0.5  0.0  1.0
  Au  Au2  4  0.31  0.31  0.1  1.0

Ba Tl Au Au
Ba Tl Au Au 0 3 - o o 0 2 o - o 1 2 + o o 1 3 o + o 
BaAu2Tl is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaAu2Tl clusters. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent Au(1) atoms. Both Ba(1)-Au(1) bond lengths are 2.05 Å. Au(1) is bonded in a distorted L-shaped geometry to one Ba(1) and one Tl(1) atom. The Au(1)-Tl(1) bond length is 2.05 Å. Tl(1) is bonded in a distorted L-shaped geometry to two equivalent Au(1) atoms.