data_CdCo4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCo4Pd
_chemical_formula_sum   'Cd1 Co4 Pd1'
_cell_volume   79.66
_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  Cd0  1  0.71  0.71  0.71  1.0
  Co  Co1  1  0.56  0.56  0.27  1.0
  Co  Co2  1  0.56  0.27  0.56  1.0
  Co  Co3  1  0.27  0.56  0.56  1.0
  Co  Co4  1  0.27  0.27  0.27  1.0
  Pd  Pd5  1  0.0  0.0  0.0  1.0

data_CdCo4Pd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CdCo4Pd
_chemical_formula_sum   'Cd3 Co12 Pd3'
_cell_volume   238.99
_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  0.29  1.0
  Co  Co1  9  0.19  0.1  0.54  1.0
  Co  Co2  3  0.0  0.0  0.73  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

Cd Co Co Co Co Pd
Co4PdCd crystallizes in the trigonal R3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 3-coordinate geometry to two equivalent Co(1), three equivalent Co(2), three equivalent Pd(1), and one Cd(1) atom. Both Co(1)-Co(1) bond lengths are 1.40 Å. There is one shorter (2.42 Å) and two longer (2.99 Å) Co(1)-Co(2) bond lengths. There are two shorter (2.92 Å) and one longer (3.12 Å) Co(1)-Pd(1) bond length. The Co(1)-Cd(1) bond length is 2.24 Å. In the second Co site, Co(2) is bonded in a 16-coordinate geometry to nine equivalent Co(1), four equivalent Pd(1), and three equivalent Cd(1) atoms. There are three shorter (2.89 Å) and one longer (3.20 Å) Co(2)-Pd(1) bond length. All Co(2)-Cd(1) bond lengths are 3.05 Å. Pd(1) is bonded in a 16-coordinate geometry to four equivalent Co(2), nine equivalent Co(1), and three equivalent Cd(1) atoms. All Pd(1)-Cd(1) bond lengths are 2.83 Å. Cd(1) is bonded in a 3-coordinate geometry to three equivalent Co(1), three equivalent Co(2), and three equivalent Pd(1) atoms.