data_CoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPd
_chemical_formula_sum   'Co4 Pd4'
_cell_volume   110.05
_cell_formula_units_Z   4
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  0.92  0.92  0.92  1.0
  Co  Co1  1  0.48  0.87  0.31  1.0
  Co  Co2  1  0.87  0.31  0.48  1.0
  Co  Co3  1  0.31  0.48  0.87  1.0
  Pd  Pd4  1  0.47  0.47  0.47  1.0
  Pd  Pd5  1  0.93  0.33  0.86  1.0
  Pd  Pd6  1  0.33  0.86  0.93  1.0
  Pd  Pd7  1  0.86  0.93  0.33  1.0

data_CoPd
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   CoPd
_chemical_formula_sum   'Co12 Pd12'
_cell_volume   330.16
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.09  0.35  0.22  1.0
  Co  Co1  3  0.0  0.0  0.92  1.0
  Pd  Pd2  9  0.16  0.38  0.71  1.0
  Pd  Pd3  3  0.0  0.0  0.47  1.0

Co Co Co Co Pd Pd Pd Pd
PdCo is alpha As-derived structured and crystallizes in the trigonal R3 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to three equivalent Pd(2) atoms. All Co(1)-Pd(2) bond lengths are 1.97 Å. In the second Co site, Co(2) is bonded in a distorted trigonal non-coplanar geometry to one Pd(1) and two equivalent Pd(2) atoms. The Co(2)-Pd(1) bond length is 2.08 Å. There is one shorter (1.87 Å) and one longer (1.99 Å) Co(2)-Pd(2) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Co(2) atoms. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms.