data_CsGdAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsGdAl2
_chemical_formula_sum   'Cs1 Gd1 Al2'
_cell_volume   124.08
_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
  Cs  Cs2  1  0.0  0.0  0.0  1.0
  Gd  Gd3  1  0.96  0.96  0.96  1.0
  Al  Al0  1  0.98  0.98  0.98  1.0
  Al  Al1  1  0.94  0.94  0.94  1.0

data_CsGdAl2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   13.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsGdAl2
_chemical_formula_sum   'Cs3 Gd3 Al6'
_cell_volume   372.24
_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
  Cs  Cs0  3  0.0  0.0  0.0  1.0
  Gd  Gd1  3  0.0  0.0  0.04  1.0
  Al  Al2  3  0.0  0.0  0.02  1.0
  Al  Al3  3  0.0  0.0  0.06  1.0

Cs Gd Al Al
Cs Gd Al Al 0 2 - - - 1 3 o o o 1 2 o o o 
CsGdAl2 is Cyanogen Chloride-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three CsGdAl2 clusters. Cs(1) is bonded in a single-bond geometry to one Al(1) atom. The Cs(1)-Al(1) bond length is 0.28 Å. Gd(1) is bonded in a linear geometry to one Al(1) and one Al(2) atom. The Gd(1)-Al(1) bond length is 0.28 Å. The Gd(1)-Al(2) bond length is 0.28 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a linear geometry to one Cs(1) and one Gd(1) atom. In the second Al site, Al(2) is bonded in a single-bond geometry to one Gd(1) atom.