data_Al3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   150.9
_cell_angle_beta   60.95
_cell_angle_gamma   127.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cd
_chemical_formula_sum   'Al3 Cd1'
_cell_volume   74.56
_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  0.39  0.07  1.0
  Al  Al1  1  0.0  0.61  0.07  1.0
  Al  Al2  1  0.0  0.0  0.36  1.0
  Cd  Cd3  1  0.46  0.0  0.76  1.0

data_Al3Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.11
_cell_length_c   5.8
_cell_angle_alpha   116.14
_cell_angle_beta   104.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cd
_chemical_formula_sum   'Al3 Cd1'
_cell_volume   74.56
_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  0.07  0.46  0.46  1.0
  Al  Al1  1  0.07  0.68  0.68  1.0
  Al  Al2  1  0.36  0.36  0.36  1.0
  Cd  Cd3  1  0.76  0.76  0.21  1.0

Al Al Al Cd
CdAl3 crystallizes in the triclinic P1 space group. Cd(1) is bonded in a 11-coordinate geometry to two equivalent Cd(1), two equivalent Al(2), three equivalent Al(1), and four equivalent Al(3) atoms. Both Cd(1)-Cd(1) bond lengths are 2.92 Å. There is one shorter (2.53 Å) and one longer (3.25 Å) Cd(1)-Al(2) bond length. There are a spread of Cd(1)-Al(1) bond distances ranging from 2.83-3.30 Å. There are a spread of Cd(1)-Al(3) bond distances ranging from 2.85-3.22 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 1.31 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to two equivalent Cd(1), one Al(1), and one Al(3) atom. The Al(2)-Al(3) bond length is 1.12 Å. In the third Al site, Al(3) is bonded in a 1-coordinate geometry to four equivalent Cd(1) and one Al(2) atom.