data_Al2CrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrCd
_chemical_formula_sum   'Al2 Cr1 Cd1'
_cell_volume   66.82
_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
  Al  Al0  1  0.47  0.47  0.55  1.0
  Al  Al1  1  0.47  0.47  0.16  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.86  1.0

data_Al2CrCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2CrCd
_chemical_formula_sum   'Al4 Cr2 Cd2'
_cell_volume   133.64
_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
  Al  Al0  2  0.47  0.0  0.16  1.0
  Al  Al1  2  0.47  0.0  0.55  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  Cd  Cd3  2  0.0  0.0  0.86  1.0

Al Al Cr Cd
CrCdAl2 crystallizes in the monoclinic Cm space group. Cr(1) is bonded in a distorted single-bond geometry to one Cd(1) and four Al(2,2) atoms. The Cr(1)-Cd(1) bond length is 1.11 Å. There are a spread of Cr(1)-Al(2,2) bond distances ranging from 2.33-2.53 Å. Cd(1) is bonded in a single-bond geometry to one Cr(1) and four equivalent Al(1) atoms. There are a spread of Cd(1)-Al(1) bond distances ranging from 3.07-3.23 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to four equivalent Cd(1), one Al(2), and four equivalent Al(1) atoms. The Al(1)-Al(2) bond length is 2.98 Å. All Al(1)-Al(1) bond lengths are 2.94 Å. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Al(1), and four equivalent Al(2) atoms. All Al(2)-Al(2) bond lengths are 2.94 Å. In the third Al site, Al(2) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Al(1), and four equivalent Al(2) atoms. The Al(2)-Al(1) bond length is 2.98 Å.