data_BaTl2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Au
_chemical_formula_sum   'Ba1 Tl2 Au1'
_cell_volume   125.86
_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  Ba1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.38  0.79  1.0
  Tl  Tl3  1  0.38  0.0  0.79  1.0
  Au  Au0  1  0.38  0.38  0.0  1.0

data_BaTl2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   5.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaTl2Au
_chemical_formula_sum   'Ba2 Tl4 Au2'
_cell_volume   251.73
_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  4  0.19  0.19  0.79  1.0
  Au  Au2  2  0.38  0.0  -0.0  1.0

Ba Tl Tl Au
Ba Tl Tl Au 0 2 o o - 0 1 o o - 0 3 o o o 1 2 o o o 1 3 o o + 2 3 o o + 
BaAuTl2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaAuTl2 clusters. Ba(1) is bonded in a 2-coordinate geometry to two equivalent Tl(1) atoms. Both Ba(1)-Tl(1) bond lengths are 2.14 Å. Au(1) is bonded in a 2-coordinate geometry to two equivalent Tl(1) atoms. Both Au(1)-Tl(1) bond lengths are 2.14 Å. Tl(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Au(1) atom.