data_Al2VGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VGa
_chemical_formula_sum   'Al2 V1 Ga1'
_cell_volume   63.29
_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  0.37  0.37  0.92  1.0
  Al  Al1  1  0.37  0.37  0.56  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.24  1.0

data_Al2VGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2VGa
_chemical_formula_sum   'Al4 V2 Ga2'
_cell_volume   126.59
_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  0.37  0.0  0.56  1.0
  Al  Al1  2  0.37  0.0  0.92  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Ga  Ga3  2  0.0  0.0  0.24  1.0

Al Al V Ga
VGaAl2 crystallizes in the monoclinic Cm space group. V(1) is bonded in a 2-coordinate geometry to one Ga(1) and one Al(1) atom. The V(1)-Ga(1) bond length is 2.02 Å. The V(1)-Al(1) bond length is 1.58 Å. Ga(1) is bonded in a single-bond geometry to one V(1) and one Al(2) atom. The Ga(1)-Al(2) bond length is 3.08 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 1-coordinate geometry to one V(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 3.01 Å. In the second Al site, Al(2) is bonded to one Ga(1), one Al(1), and four equivalent Al(2) atoms to form a mixture of edge and corner-sharing AlAl5Ga octahedra. The corner-sharing octahedra are not tilted. All Al(2)-Al(2) bond lengths are 2.73 Å.