data_GaCuPdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuPdAu
_chemical_formula_sum   'Ga1 Cu1 Pd1 Au1'
_cell_volume   60.14
_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
  Ga  Ga2  1  0.11  0.11  0.11  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.66  0.66  0.66  1.0
  Au  Au0  1  0.55  0.55  0.55  1.0

data_GaCuPdAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaCuPdAu
_chemical_formula_sum   'Ga3 Cu3 Pd3 Au3'
_cell_volume   180.41
_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
  Ga  Ga0  3  0.0  0.0  0.89  1.0
  Cu  Cu1  3  0.0  0.0  0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.34  1.0
  Au  Au3  3  0.0  0.0  0.45  1.0

Ga Cu Pd Au
Ga Cu Pd Au 0 1 o o o 2 3 o o o 
AuPdCuGa is Halite, Rock Salt structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three AuPd clusters and three CuGa clusters. In each AuPd cluster, Pd(1) is bonded in a single-bond geometry to one Au(1) atom. The Pd(1)-Au(1) bond length is 1.18 Å. Au(1) is bonded in a single-bond geometry to one Pd(1) atom. In each CuGa cluster, Cu(1) is bonded in a single-bond geometry to one Ga(1) atom. The Cu(1)-Ga(1) bond length is 1.18 Å. Ga(1) is bonded in a distorted single-bond geometry to one Cu(1) atom.