data_Cd4InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4InAu
_chemical_formula_sum   'Cd4 In1 Au1'
_cell_volume   137.62
_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  Cd1  1  0.08  0.08  0.12  1.0
  Cd  Cd2  1  0.08  0.12  0.08  1.0
  Cd  Cd3  1  0.12  0.08  0.08  1.0
  Cd  Cd4  1  0.12  0.12  0.12  1.0
  In  In5  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.05  0.05  0.05  1.0

data_Cd4InAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   14.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cd4InAu
_chemical_formula_sum   'Cd12 In3 Au3'
_cell_volume   412.85
_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  9  0.01  0.03  0.91  1.0
  Cd  Cd1  3  0.0  0.0  0.88  1.0
  In  In2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.95  1.0

Cd Cd Cd Cd In Au
Cd Cd Cd Cd In Au 0 2 o o o 0 1 o o o 0 3 o o o 0 5 o o o 1 2 o o o 1 3 o o o 1 5 o o o 2 3 o o o 2 5 o o o 4 5 o o o 
AuCd4In is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three AuCd4In clusters. Au(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cd(1) and one In(1) atom. All Au(1)-Cd(1) bond lengths are 0.61 Å. The Au(1)-In(1) bond length is 0.69 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 2-coordinate geometry to one Au(1), one Cd(2), and two equivalent Cd(1) atoms. The Cd(1)-Cd(2) bond length is 0.43 Å. Both Cd(1)-Cd(1) bond lengths are 0.25 Å. In the second Cd site, Cd(2) is bonded in a 3-coordinate geometry to three equivalent Cd(1) atoms. In(1) is bonded in a single-bond geometry to one Au(1) atom.