data_AlV2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.0
_cell_angle_alpha   101.86
_cell_angle_beta   101.86
_cell_angle_gamma   33.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Cd
_chemical_formula_sum   'Al1 V2 Cd1'
_cell_volume   63.39
_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
  Al  Al0  1  0.18  0.0  0.45  1.0
  V  V2  1  0.13  0.0  0.68  1.0
  V  V3  1  0.58  0.0  0.79  1.0
  Cd  Cd1  1  0.66  0.0  0.28  1.0

data_AlV2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.85
_cell_length_c   5.0
_cell_angle_alpha   101.86
_cell_angle_beta   90.0
_cell_angle_gamma   106.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlV2Cd
_chemical_formula_sum   'Al1 V2 Cd1'
_cell_volume   63.39
_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
  Al  Al0  1  0.0  0.82  0.55  1.0
  V  V1  1  0.0  0.42  0.21  1.0
  V  V2  1  0.0  0.87  0.32  1.0
  Cd  Cd3  1  0.0  0.34  0.72  1.0

Al V V Cd
Al V V Cd 0 1 o o o 0 2 o o o 0 3 o o o 0 3 - o o 1 2 o o o 1 3 - o o 2 3 o o o 2 3 o o + 3 3 + - o 
V2CdAl crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to two equivalent V(2) and one Al(1) atom. There is one shorter (2.15 Å) and one longer (2.83 Å) V(1)-V(2) bond length. The V(1)-Al(1) bond length is 1.22 Å. In the second V site, V(2) is bonded in a 7-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent Cd(1), and one Al(1) atom. Both V(2)-V(2) bond lengths are 2.79 Å. There is one shorter (2.38 Å) and one longer (2.68 Å) V(2)-Cd(1) bond length. The V(2)-Al(1) bond length is 2.27 Å. Cd(1) is bonded in a 4-coordinate geometry to two equivalent V(2) and two equivalent Al(1) atoms. There is one shorter (2.49 Å) and one longer (2.65 Å) Cd(1)-Al(1) bond length. Al(1) is bonded in a single-bond geometry to one V(1), one V(2), and two equivalent Cd(1) atoms.