data_AcAl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcAl2Cd
_chemical_formula_sum   'Ac1 Al2 Cd1'
_cell_volume   96.34
_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
  Ac  Ac0  1  0.64  0.64  0.64  1.0
  Al  Al1  1  0.82  0.82  0.82  1.0
  Al  Al2  1  0.46  0.46  0.46  1.0
  Cd  Cd3  1  0.0  0.0  0.0  1.0

data_AcAl2Cd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcAl2Cd
_chemical_formula_sum   'Ac3 Al6 Cd3'
_cell_volume   289.02
_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
  Ac  Ac0  3  0.0  0.0  0.36  1.0
  Al  Al1  3  0.0  0.0  0.18  1.0
  Al  Al2  3  0.0  0.0  0.54  1.0
  Cd  Cd3  3  0.0  0.0  0.0  1.0

Ac Al Al Cd
Ac Al Al Cd 0 2 o o o 0 1 o o o 1 3 + + + 
AcCdAl2 crystallizes in the trigonal R3m space group. Ac(1) is bonded in a 5-coordinate geometry to three equivalent Cd(1), one Al(1), and one Al(2) atom. All Ac(1)-Cd(1) bond lengths are 2.99 Å. The Ac(1)-Al(1) bond length is 2.28 Å. The Ac(1)-Al(2) bond length is 2.28 Å. Cd(1) is bonded to three equivalent Ac(1) and one Al(1) atom to form distorted corner-sharing CdAc3Al trigonal pyramids. The Cd(1)-Al(1) bond length is 2.28 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted linear geometry to one Ac(1) and one Cd(1) atom. In the second Al site, Al(2) is bonded in a single-bond geometry to one Ac(1) atom.