data_CaCd2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   36.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Pd
_chemical_formula_sum   'Ca1 Cd2 Pd1'
_cell_volume   94.6
_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
  Ca  Ca0  1  0.0  0.0  0.76  1.0
  Cd  Cd1  1  0.1  0.0  0.96  1.0
  Cd  Cd2  1  0.0  0.0  0.94  1.0
  Pd  Pd3  1  0.1  0.0  0.75  1.0

data_CaCd2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.2
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   108.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Pd
_chemical_formula_sum   'Ca1 Cd2 Pd1'
_cell_volume   94.6
_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
  Ca  Ca0  1  0.24  0.0  0.24  1.0
  Cd  Cd1  1  0.04  0.1  0.04  1.0
  Cd  Cd2  1  0.06  0.0  0.06  1.0
  Pd  Pd3  1  0.25  0.1  0.25  1.0

Ca Cd Cd Pd
Ca Cd Cd Pd 0 3 o o o 1 2 o o o 
CaPdCd2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CaPdCd2 cluster. Ca(1) is bonded in a distorted single-bond geometry to one Pd(1) and one Cd(2) atom. The Ca(1)-Pd(1) bond length is 0.42 Å. The Ca(1)-Cd(2) bond length is 1.08 Å. Pd(1) is bonded in a single-bond geometry to one Ca(1) and one Cd(1) atom. The Pd(1)-Cd(1) bond length is 1.25 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 2-coordinate geometry to one Pd(1) and one Cd(2) atom. The Cd(1)-Cd(2) bond length is 0.43 Å. In the second Cd site, Cd(2) is bonded in a water-like geometry to one Ca(1) and one Cd(1) atom.