data_CoCuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   4.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuPd
_chemical_formula_sum   'Co1 Cu1 Pd1'
_cell_volume   47.47
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.87  0.87  0.87  1.0
  Pd  Pd2  1  0.44  0.44  0.44  1.0

data_CoCuPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CoCuPd
_chemical_formula_sum   'Co3 Cu3 Pd3'
_cell_volume   142.42
_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
  Co  Co0  3  0.0  0.0  0.0  1.0
  Cu  Cu1  3  0.0  0.0  0.13  1.0
  Pd  Pd2  3  0.0  0.0  0.56  1.0

Co Cu Pd
Co Cu Pd 0 1 - - - 0 2 o o - 0 2 o - o 0 2 - o o 1 2 + o o 1 2 o + o 1 2 o o + 
PdCuCo crystallizes in the trigonal R3m space group. Co(1) is bonded to three equivalent Pd(1) and one Cu(1) atom to form distorted CoCuPd3 tetrahedra that share corners with three equivalent Cu(1)CoPd3 tetrahedra, corners with six equivalent Co(1)CuPd3 tetrahedra, and edges with three equivalent Cu(1)CoPd3 tetrahedra. All Co(1)-Pd(1) bond lengths are 2.56 Å. The Co(1)-Cu(1) bond length is 1.26 Å. Pd(1) is bonded in a 6-coordinate geometry to three equivalent Co(1) and three equivalent Cu(1) atoms. All Pd(1)-Cu(1) bond lengths are 2.56 Å. Cu(1) is bonded to one Co(1) and three equivalent Pd(1) atoms to form distorted CuCoPd3 tetrahedra that share corners with three equivalent Co(1)CuPd3 tetrahedra, corners with six equivalent Cu(1)CoPd3 tetrahedra, and edges with three equivalent Co(1)CuPd3 tetrahedra.