data_Al2CdTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CdTe
_chemical_formula_sum   'Al2 Cd1 Te1'
_cell_volume   92.15
_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  0.0  0.0  1.0
  Al  Al1  1  0.38  0.38  0.38  1.0
  Cd  Cd2  1  0.58  0.58  0.58  1.0
  Te  Te3  1  0.79  0.79  0.79  1.0

data_Al2CdTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al2CdTe
_chemical_formula_sum   'Al6 Cd3 Te3'
_cell_volume   276.44
_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
  Al  Al0  3  0.0  0.0  0.0  1.0
  Al  Al1  3  0.0  0.0  0.62  1.0
  Cd  Cd2  3  0.0  0.0  0.42  1.0
  Te  Te3  3  0.0  0.0  0.21  1.0

Al Al Cd Te
Al Al Cd Te 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 2 - - o 0 2 - o - 0 2 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o - o 1 2 - o o 1 2 o o - 1 2 o o o 1 3 - o o 1 3 o - o 1 3 o o - 2 3 o - o 2 3 - o o 2 3 o o - 2 3 o o o 
CdAl2Te crystallizes in the trigonal R3m space group. Cd(1) is bonded in a 2-coordinate geometry to four equivalent Al(2) and one Te(1) atom. There is one shorter (2.58 Å) and three longer (3.32 Å) Cd(1)-Al(2) bond lengths. The Cd(1)-Te(1) bond length is 2.58 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to three equivalent Al(2) and one Te(1) atom. All Al(1)-Al(2) bond lengths are 2.98 Å. The Al(1)-Te(1) bond length is 2.58 Å. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to four equivalent Cd(1), three equivalent Al(1), and three equivalent Te(1) atoms. All Al(2)-Te(1) bond lengths are 3.10 Å. Te(1) is bonded in a 2-coordinate geometry to one Cd(1), one Al(1), and three equivalent Al(2) atoms.