data_TlCdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdAu2
_chemical_formula_sum   'Tl1 Cd1 Au2'
_cell_volume   89.14
_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  0.31  0.0  0.84  1.0
  Cd  Cd2  1  0.0  0.0  0.39  1.0
  Au  Au0  1  0.0  0.0  0.79  1.0
  Au  Au1  1  0.31  0.0  0.08  1.0

data_TlCdAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlCdAu2
_chemical_formula_sum   'Tl1 Cd1 Au2'
_cell_volume   89.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.31  0.0  0.84  1.0
  Cd  Cd1  1  0.0  0.0  0.39  1.0
  Au  Au2  1  0.0  0.0  0.79  1.0
  Au  Au3  1  0.31  0.0  0.08  1.0

Tl Cd Au Au
Tl Cd Au Au 0 2 o o o 0 3 o o + 1 3 - o o 1 3 o o o 1 1 o + o 1 1 + o o 1 2 o o o 
Au2CdTl crystallizes in the monoclinic Pm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Cd(1) and two equivalent Tl(1) atoms. The Au(1)-Cd(1) bond length is 3.24 Å. There is one shorter (1.11 Å) and one longer (2.34 Å) Au(1)-Tl(1) bond length. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to two equivalent Cd(1) and one Tl(1) atom. There is one shorter (2.66 Å) and one longer (3.36 Å) Au(2)-Cd(1) bond length. The Au(2)-Tl(1) bond length is 1.93 Å. Cd(1) is bonded in a 7-coordinate geometry to one Au(1), two equivalent Au(2), and four equivalent Cd(1) atoms. All Cd(1)-Cd(1) bond lengths are 3.33 Å. Tl(1) is bonded in a 3-coordinate geometry to one Au(2) and two equivalent Au(1) atoms.