data_CdSnPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSnPbAu
_chemical_formula_sum   'Cd1 Sn1 Pb1 Au1'
_cell_volume   100.6
_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  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.54  0.54  0.54  1.0
  Pb  Pb2  1  0.69  0.69  0.69  1.0
  Au  Au0  1  0.85  0.85  0.85  1.0

data_CdSnPbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   12.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdSnPbAu
_chemical_formula_sum   'Cd3 Sn3 Pb3 Au3'
_cell_volume   301.79
_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  0.46  1.0
  Pb  Pb2  3  0.0  0.0  0.31  1.0
  Au  Au3  3  0.0  0.0  0.15  1.0

Cd Sn Pb Au
Cd Sn Pb Au 0 3 - - - 1 2 o o o 2 3 o o o 
AuCdPbSn crystallizes in the trigonal R3m space group. Au(1) is bonded in a distorted linear geometry to one Cd(1), one Pb(1), and three equivalent Sn(1) atoms. The Au(1)-Cd(1) bond length is 1.97 Å. The Au(1)-Pb(1) bond length is 1.97 Å. All Au(1)-Sn(1) bond lengths are 3.03 Å. Cd(1) is bonded in a distorted single-bond geometry to one Au(1) and three equivalent Pb(1) atoms. All Cd(1)-Pb(1) bond lengths are 3.03 Å. Pb(1) is bonded to one Au(1), three equivalent Cd(1), and one Sn(1) atom to form distorted PbCd3SnAu trigonal bipyramids that share corners with six equivalent Pb(1)Cd3SnAu trigonal bipyramids and corners with three equivalent Sn(1)PbAu3 trigonal pyramids. The Pb(1)-Sn(1) bond length is 1.97 Å. Sn(1) is bonded to three equivalent Au(1) and one Pb(1) atom to form distorted SnPbAu3 trigonal pyramids that share corners with three equivalent Pb(1)Cd3SnAu trigonal bipyramids and corners with six equivalent Sn(1)PbAu3 trigonal pyramids.