data_Al2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   117.96
_cell_angle_beta   116.05
_cell_angle_gamma   95.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cd
_chemical_formula_sum   'Al2 Cd1'
_cell_volume   64.64
_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  0.0  0.35  0.47  1.0
  Al  Al1  1  0.29  0.0  0.52  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

data_Al2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   95.28
_cell_angle_beta   116.05
_cell_angle_gamma   117.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cd
_chemical_formula_sum   'Al2 Cd1'
_cell_volume   64.64
_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  0.12  1.0
  Al  Al1  1  0.52  0.23  0.52  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

Al Al Cd
Al Al Cd 0 2 o o o 0 1 o o o 1 2 o o o 
CdAl2 crystallizes in the triclinic P1 space group. Cd(1) is bonded in a 5-coordinate geometry to two equivalent Al(1) and three equivalent Al(2) atoms. There is one shorter (1.94 Å) and one longer (2.73 Å) Cd(1)-Al(1) bond length. There is one shorter (2.11 Å) and two longer (2.92 Å) Cd(1)-Al(2) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 1-coordinate geometry to two equivalent Cd(1) and two equivalent Al(2) atoms. There is one shorter (2.16 Å) and one longer (2.89 Å) Al(1)-Al(2) bond length. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to three equivalent Cd(1) and two equivalent Al(1) atoms.