data_LiAl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   5.01
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2Cd
_chemical_formula_sum   'Li1 Al2 Cd1'
_cell_volume   72.85
_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
  Li  Li3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.74  0.51  0.76  1.0
  Al  Al1  1  0.13  0.51  0.21  1.0
  Cd  Cd2  1  0.44  0.0  0.48  1.0

data_LiAl2Cd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.93
_cell_length_b   5.01
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiAl2Cd
_chemical_formula_sum   'Li1 Al2 Cd1'
_cell_volume   72.85
_cell_formula_units_Z   1
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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.13  0.5  0.21  1.0
  Al  Al2  1  0.74  0.5  0.76  1.0
  Cd  Cd3  1  0.44  0.0  0.48  1.0

Li Al Al Cd
LiCdAl2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), four equivalent Cd(1), two equivalent Al(1), and two equivalent Al(2) atoms. Both Li(1)-Li(1) bond lengths are 2.93 Å. There are a spread of Li(1)-Cd(1) bond distances ranging from 2.71-3.03 Å. There is one shorter (2.85 Å) and one longer (2.90 Å) Li(1)-Al(1) bond length. There is one shorter (2.71 Å) and one longer (2.77 Å) Li(1)-Al(2) bond length. Cd(1) is bonded in a 10-coordinate geometry to four equivalent Li(1), two equivalent Cd(1), two equivalent Al(1), and two equivalent Al(2) atoms. Both Cd(1)-Cd(1) bond lengths are 2.93 Å. There is one shorter (2.96 Å) and one longer (3.01 Å) Cd(1)-Al(1) bond length. There is one shorter (2.96 Å) and one longer (3.01 Å) Cd(1)-Al(2) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Cd(1), two equivalent Al(1), and three equivalent Al(2) atoms. Both Al(1)-Al(1) bond lengths are 2.93 Å. There are a spread of Al(1)-Al(2) bond distances ranging from 2.50-2.96 Å. In the second Al site, Al(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), two equivalent Cd(1), two equivalent Al(2), and three equivalent Al(1) atoms. Both Al(2)-Al(2) bond lengths are 2.93 Å.