data_ZrAlCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlCd2
_chemical_formula_sum   'Zr1 Al1 Cd2'
_cell_volume   80.13
_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
  Zr  Zr3  1  0.11  0.11  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.11  0.25  1.0
  Cd  Cd2  1  0.11  0.0  0.25  1.0

data_ZrAlCd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrAlCd2
_chemical_formula_sum   'Zr2 Al2 Cd4'
_cell_volume   160.26
_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
  Zr  Zr0  2  0.11  0.0  0.0  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  4  0.06  0.06  0.25  1.0

Zr Al Cd Cd
ZrCd2Al is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrCd2Al clusters. Zr(1) is bonded in a distorted single-bond geometry to two equivalent Cd(1) and one Al(1) atom. Both Zr(1)-Cd(1) bond lengths are 1.22 Å. The Zr(1)-Al(1) bond length is 0.66 Å. Cd(1) is bonded in a 3-coordinate geometry to one Zr(1), one Cd(1), and one Al(1) atom. The Cd(1)-Cd(1) bond length is 0.66 Å. The Cd(1)-Al(1) bond length is 1.22 Å. Al(1) is bonded in a single-bond geometry to one Zr(1) and two equivalent Cd(1) atoms.