data_MgAl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl2Cd
_chemical_formula_sum   'Mg1 Al2 Cd1'
_cell_volume   77.43
_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
  Mg  Mg3  1  0.0  0.0  0.01  1.0
  Al  Al0  1  0.11  0.0  0.34  1.0
  Al  Al1  1  0.0  0.0  0.46  1.0
  Cd  Cd2  1  0.11  0.0  0.28  1.0

data_MgAl2Cd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgAl2Cd
_chemical_formula_sum   'Mg1 Al2 Cd1'
_cell_volume   77.46
_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
  Mg  Mg0  1  0.0  0.0  0.01  1.0
  Al  Al1  1  0.0  0.0  0.46  1.0
  Al  Al2  1  0.11  0.0  0.34  1.0
  Cd  Cd3  1  0.11  0.0  0.28  1.0

Mg Al Al Cd
Mg Al Al Cd 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 
MgCdAl2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one MgCdAl2 cluster. Mg(1) is bonded in a single-bond geometry to one Cd(1) atom. The Mg(1)-Cd(1) bond length is 2.28 Å. Cd(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Al(1) atom. The Cd(1)-Al(1) bond length is 0.50 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one Cd(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 1.12 Å. In the second Al site, Al(2) is bonded in a single-bond geometry to one Al(1) atom.