data_AlVSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlVSb2
_chemical_formula_sum   'Al1 V1 Sb2'
_cell_volume   80.33
_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
  V  V3  1  0.0  0.0  0.21  1.0
  Sb  Sb1  1  0.77  0.77  0.73  1.0
  Sb  Sb2  1  0.77  0.77  0.69  1.0

data_AlVSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlVSb2
_chemical_formula_sum   'Al2 V2 Sb4'
_cell_volume   160.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.21  1.0
  Sb  Sb2  2  0.27  0.5  0.69  1.0
  Sb  Sb3  2  0.27  0.5  0.73  1.0

Al V Sb Sb
VAlSb2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two VAlSb2 clusters. V(1) is bonded in a distorted single-bond geometry to one Al(1) atom. The V(1)-Al(1) bond length is 1.36 Å. Al(1) is bonded in a bent 150 degrees geometry to one V(1) and one Sb(1) atom. The Al(1)-Sb(1) bond length is 2.07 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a bent 150 degrees geometry to one Al(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 0.28 Å. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Sb(1) atom.