data_CdSnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnAu2
_chemical_formula_sum   'Cd1 Sn1 Au2'
_cell_volume   84.98
_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
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.74  0.74  0.74  1.0
  Au  Au0  1  0.49  0.49  0.49  1.0
  Au  Au1  1  0.23  0.23  0.23  1.0

data_CdSnAu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdSnAu2
_chemical_formula_sum   'Cd3 Sn3 Au6'
_cell_volume   254.93
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cd  Cd0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.26  1.0
  Au  Au2  3  0.0  0.0  0.51  1.0
  Au  Au3  3  0.0  0.0  0.77  1.0

Cd Sn Au Au
Cd Sn Au Au 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 2 - - o 0 2 - o - 0 2 - o o 0 2 o - - 0 2 o - o 0 2 o o - 0 1 - - - 0 1 - - o 0 1 - o - 0 1 o - - 1 3 o o + 1 3 o + o 1 3 o + + 1 3 + o o 1 3 + o + 1 3 + + o 1 2 o o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
Au2CdSn crystallizes in the trigonal R3m space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Sn(1) atoms to form distorted corner-sharing AuSn4 tetrahedra. There are three shorter (3.00 Å) and one longer (3.09 Å) Au(1)-Sn(1) bond length. In the second Au site, Au(2) is bonded to four equivalent Cd(1) atoms to form distorted corner-sharing AuCd4 tetrahedra. There is one shorter (2.83 Å) and three longer (3.09 Å) Au(2)-Cd(1) bond lengths. Cd(1) is bonded in a 8-coordinate geometry to four equivalent Au(2) and four equivalent Sn(1) atoms. There are three shorter (3.00 Å) and one longer (3.09 Å) Cd(1)-Sn(1) bond length. Sn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Au(1) and four equivalent Cd(1) atoms.