data_Zr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   7.34
_cell_angle_alpha   105.74
_cell_angle_beta   105.74
_cell_angle_gamma   31.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Cd
_chemical_formula_sum   'Zr4 Cd2'
_cell_volume   135.33
_cell_formula_units_Z   2
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
  Zr  Zr2  1  0.55  0.0  0.9  1.0
  Zr  Zr3  1  0.27  0.0  0.5  1.0
  Zr  Zr4  1  0.33  0.0  0.55  1.0
  Zr  Zr5  1  0.05  0.0  0.15  1.0
  Cd  Cd0  1  0.64  0.0  0.22  1.0
  Cd  Cd1  1  0.97  0.0  0.82  1.0

data_Zr2Cd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.29
_cell_length_b   6.06
_cell_length_c   7.34
_cell_angle_alpha   105.74
_cell_angle_beta   90.0
_cell_angle_gamma   105.74
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Zr2Cd
_chemical_formula_sum   'Zr4 Cd2'
_cell_volume   135.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zr  Zr0  2  0.0  0.25  0.62  1.0
  Zr  Zr1  2  0.0  0.47  0.98  1.0
  Cd  Cd2  2  0.0  0.17  0.3  1.0

Zr Zr Zr Zr Cd Cd
Zr Zr Zr Zr Cd Cd 0 2 o o o 0 5 o o o 0 4 o o + 1 2 o o o 1 3 o o o 3 5 - o - 3 4 - o o 
ZrZrCd crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one ZrCd cluster and one zirconium molecule. In the ZrCd cluster, Zr(1) is bonded in a 2-coordinate geometry to two equivalent Cd(1) atoms. There is one shorter (2.29 Å) and one longer (2.72 Å) Zr(1)-Cd(1) bond length. Cd(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) atoms.