data_KTlAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlAu2
_chemical_formula_sum   'K1 Tl1 Au2'
_cell_volume   108.41
_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
  K  K2  1  0.0  0.0  0.66  1.0
  Tl  Tl3  1  0.87  0.87  0.32  1.0
  Au  Au0  1  0.0  0.0  0.22  1.0
  Au  Au1  1  0.87  0.87  0.46  1.0

data_KTlAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTlAu2
_chemical_formula_sum   'K2 Tl2 Au4'
_cell_volume   216.82
_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
  K  K0  2  0.0  0.0  0.66  1.0
  Tl  Tl1  2  0.37  0.5  0.32  1.0
  Au  Au2  2  0.0  0.0  0.22  1.0
  Au  Au3  2  0.37  0.5  0.46  1.0

K Tl Au Au
KAu2Tl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KAu2Tl clusters. K(1) is bonded in a single-bond geometry to one Au(2) atom. The K(1)-Au(2) bond length is 1.66 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Tl(1) atom. The Au(1)-Tl(1) bond length is 1.02 Å. In the second Au site, Au(2) is bonded in a bent 150 degrees geometry to one K(1) and one Tl(1) atom. The Au(2)-Tl(1) bond length is 1.13 Å. Tl(1) is bonded in a distorted bent 150 degrees geometry to one Au(1) and one Au(2) atom.