data_SrAl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Cd
_chemical_formula_sum   'Sr1 Al2 Cd1'
_cell_volume   93.39
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.4  0.4  0.4  1.0
  Al  Al1  1  0.8  0.8  0.8  1.0
  Cd  Cd2  1  0.6  0.6  0.6  1.0

data_SrAl2Cd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrAl2Cd
_chemical_formula_sum   'Sr3 Al6 Cd3'
_cell_volume   280.16
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Al  Al1  3  0.0  0.0  0.2  1.0
  Al  Al2  3  0.0  0.0  0.6  1.0
  Cd  Cd3  3  0.0  0.0  0.4  1.0

Sr Al Al Cd
Sr Al Al Cd 0 2 - - - 0 2 - - o 0 2 o - - 0 2 - o - 0 3 - - o 0 3 - o - 0 3 o - - 0 1 - o o 0 1 o - o 0 1 o o - 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o o o 
SrCdAl2 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 10-coordinate geometry to three equivalent Cd(1), three equivalent Al(1), and four equivalent Al(2) atoms. All Sr(1)-Cd(1) bond lengths are 3.05 Å. All Sr(1)-Al(1) bond lengths are 3.06 Å. There is one shorter (2.49 Å) and three longer (3.38 Å) Sr(1)-Al(2) bond lengths. Cd(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Al(1), and one Al(2) atom. The Cd(1)-Al(1) bond length is 2.49 Å. The Cd(1)-Al(2) bond length is 2.49 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent Sr(1) and one Cd(1) atom to form distorted corner-sharing AlSr3Cd tetrahedra. In the second Al site, Al(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and one Cd(1) atom.