data_Na2AlCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlCd
_chemical_formula_sum   'Na2 Al1 Cd1'
_cell_volume   91.63
_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  Na2  1  0.0  0.0  0.0  1.0
  Na  Na3  1  0.79  0.79  0.79  1.0
  Al  Al0  1  0.58  0.58  0.58  1.0
  Cd  Cd1  1  0.37  0.37  0.37  1.0

data_Na2AlCd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na2AlCd
_chemical_formula_sum   'Na6 Al3 Cd3'
_cell_volume   274.9
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Na  Na1  3  0.0  0.0  0.21  1.0
  Al  Al2  3  0.0  0.0  0.42  1.0
  Cd  Cd3  3  0.0  0.0  0.63  1.0

Na Na Al Cd
Na Na Al Cd 0 1 - - - 0 1 - - o 0 1 o - - 0 1 - o - 0 2 - - o 0 2 - o - 0 2 o - - 0 3 - o o 0 3 o - o 0 3 o o - 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 o o + 1 3 o + o 1 3 + o o 2 3 o o o 2 3 o o + 2 3 + o o 2 3 o + o 
Na2CdAl crystallizes in the trigonal R3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one Na(2), three equivalent Cd(1), and three equivalent Al(1) atoms. The Na(1)-Na(2) bond length is 2.61 Å. All Na(1)-Cd(1) bond lengths are 2.95 Å. All Na(1)-Al(1) bond lengths are 3.12 Å. In the second Na site, Na(2) is bonded in a 1-coordinate geometry to one Na(1), three equivalent Cd(1), and four equivalent Al(1) atoms. All Na(2)-Cd(1) bond lengths are 3.12 Å. There is one shorter (2.61 Å) and three longer (3.29 Å) Na(2)-Al(1) bond lengths. Cd(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Na(2), and one Al(1) atom. The Cd(1)-Al(1) bond length is 2.61 Å. Al(1) is bonded in a 8-coordinate geometry to three equivalent Na(1), four equivalent Na(2), and one Cd(1) atom.