data_KZnCdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnCdAu
_chemical_formula_sum   'K1 Zn1 Cd1 Au1'
_cell_volume   99.69
_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  0.0  1.0
  Zn  Zn3  1  0.84  0.84  0.84  1.0
  Cd  Cd1  1  0.68  0.68  0.68  1.0
  Au  Au0  1  0.52  0.52  0.52  1.0

data_KZnCdAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KZnCdAu
_chemical_formula_sum   'K3 Zn3 Cd3 Au3'
_cell_volume   299.07
_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
  K  K0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.16  1.0
  Cd  Cd2  3  0.0  0.0  0.32  1.0
  Au  Au3  3  0.0  0.0  0.48  1.0

K Zn Cd Au
K Zn Cd Au 0 1 - - - 1 2 o o o 2 3 o o o 
KAuCdZn crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one Zn(1) atom. All K(1)-Cd(1) bond lengths are 3.01 Å. The K(1)-Zn(1) bond length is 2.04 Å. Au(1) is bonded in a distorted single-bond geometry to one Cd(1) and three equivalent Zn(1) atoms. The Au(1)-Cd(1) bond length is 2.04 Å. All Au(1)-Zn(1) bond lengths are 3.01 Å. Cd(1) is bonded to three equivalent K(1), one Au(1), and one Zn(1) atom to form distorted CdK3ZnAu trigonal bipyramids that share corners with six equivalent Cd(1)K3ZnAu trigonal bipyramids and edges with three equivalent Zn(1)KCdAu3 trigonal bipyramids. The Cd(1)-Zn(1) bond length is 2.04 Å. Zn(1) is bonded to one K(1), three equivalent Au(1), and one Cd(1) atom to form distorted ZnKCdAu3 trigonal bipyramids that share corners with six equivalent Zn(1)KCdAu3 trigonal bipyramids and edges with three equivalent Cd(1)K3ZnAu trigonal bipyramids.