data_NaAlCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.97
_cell_angle_alpha   97.62
_cell_angle_beta   97.62
_cell_angle_gamma   34.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlCd2
_chemical_formula_sum   'Na1 Al1 Cd2'
_cell_volume   90.08
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.54  0.0  0.95  1.0
  Cd  Cd1  1  0.28  0.0  0.57  1.0
  Cd  Cd2  1  0.81  0.0  0.34  1.0

data_NaAlCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.19
_cell_length_c   5.97
_cell_angle_alpha   97.62
_cell_angle_beta   90.0
_cell_angle_gamma   107.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlCd2
_chemical_formula_sum   'Na1 Al1 Cd2'
_cell_volume   90.08
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.46  0.05  1.0
  Cd  Cd2  1  0.0  0.19  0.66  1.0
  Cd  Cd3  1  0.0  0.72  0.43  1.0

Na Al Cd Cd
Na Al Cd Cd 0 3 - o o 0 1 - o - 0 1 o o - 0 2 o o - 1 2 o o o 1 3 o o + 2 3 - o o 2 3 o o o 2 2 + - o 
NaCd2Al crystallizes in the triclinic P1 space group. Na(1) is bonded in a 4-coordinate geometry to one Cd(2), two equivalent Cd(1), and two equivalent Al(1) atoms. The Na(1)-Cd(2) bond length is 2.39 Å. There is one shorter (3.11 Å) and one longer (3.50 Å) Na(1)-Cd(1) bond length. There is one shorter (2.36 Å) and one longer (2.86 Å) Na(1)-Al(1) bond length. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Cd(1), two equivalent Cd(2), and one Al(1) atom. Both Cd(1)-Cd(1) bond lengths are 3.08 Å. There is one shorter (2.63 Å) and one longer (3.22 Å) Cd(1)-Cd(2) bond length. The Cd(1)-Al(1) bond length is 2.52 Å. In the second Cd site, Cd(2) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Cd(1), and one Al(1) atom. The Cd(2)-Al(1) bond length is 2.52 Å. Al(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cd(1), and one Cd(2) atom.