data_Ba2CoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoPd
_chemical_formula_sum   'Ba2 Co1 Pd1'
_cell_volume   137.99
_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
  Ba  Ba0  1  0.0  0.0  0.72  1.0
  Ba  Ba1  1  0.3  0.3  0.42  1.0
  Co  Co2  1  0.0  0.0  0.49  1.0
  Pd  Pd3  1  0.3  0.3  0.65  1.0

data_Ba2CoPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2CoPd
_chemical_formula_sum   'Ba4 Co2 Pd2'
_cell_volume   275.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.72  1.0
  Ba  Ba1  2  0.3  0.0  0.42  1.0
  Co  Co2  2  0.0  0.0  0.49  1.0
  Pd  Pd3  2  0.3  0.0  0.65  1.0

Ba Ba Co Pd
Ba Ba Co Pd 0 2 o o o 1 3 o o o 
Ba2CoPd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2CoPd clusters. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to one Co(1) and one Pd(1) atom. The Ba(1)-Co(1) bond length is 1.55 Å. The Ba(1)-Pd(1) bond length is 2.02 Å. In the second Ba site, Ba(2) is bonded in a distorted single-bond geometry to one Co(1) and one Pd(1) atom. The Ba(2)-Co(1) bond length is 2.01 Å. The Ba(2)-Pd(1) bond length is 1.52 Å. Co(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Ba(2) atom. Pd(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Ba(2) atom.