data_CoNiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65
_cell_length_b   8.65
_cell_length_c   8.65
_cell_angle_alpha   17.96
_cell_angle_beta   17.96
_cell_angle_gamma   17.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiPd2
_chemical_formula_sum   'Co1 Ni1 Pd2'
_cell_volume   53.65
_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
  Ni  Ni1  1  0.0  0.0  0.76  1.0
  Pd  Pd2  1  0.0  0.0  0.13  1.0
  Pd  Pd3  1  0.0  0.0  0.39  1.0

data_CoNiPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   2.7
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   100.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNiPd2
_chemical_formula_sum   'Co2 Ni2 Pd4'
_cell_volume   107.3
_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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.24  1.0
  Pd  Pd2  2  0.0  0.0  0.61  1.0
  Pd  Pd3  2  0.0  0.0  0.87  1.0

Co Ni Pd Pd
Co Ni Pd Pd 0 2 o o o 0 1 o o - 1 1 o + - 1 1 + - o 1 1 + o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
CoPd2Ni crystallizes in the monoclinic Cm space group. Co(1) is bonded in a single-bond geometry to one Pd(1) and one Ni(1) atom. The Co(1)-Pd(1) bond length is 1.10 Å. The Co(1)-Ni(1) bond length is 2.10 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a single-bond geometry to one Co(1) and one Pd(2) atom. The Pd(1)-Pd(2) bond length is 2.25 Å. In the second Pd site, Pd(2) is bonded to one Pd(1), six equivalent Pd(2), and one Ni(1) atom to form a mixture of distorted edge and corner-sharing PdNiPd7 hexagonal bipyramids. All Pd(2)-Pd(2) bond lengths are 2.70 Å. The Pd(2)-Ni(1) bond length is 3.20 Å. Ni(1) is bonded in a distorted single-bond geometry to one Co(1) and one Pd(2) atom.