data_TiAlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlV2
_chemical_formula_sum   'Ti1 Al1 V2'
_cell_volume   58.2
_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
  Ti  Ti1  1  0.9  0.9  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.9  0.0  0.02  1.0
  V  V3  1  0.0  0.9  0.02  1.0

data_TiAlV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiAlV2
_chemical_formula_sum   'Ti2 Al2 V4'
_cell_volume   116.41
_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
  Ti  Ti0  2  0.4  0.5  -0.0  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  V  V2  4  0.45  0.45  0.02  1.0

Ti Al V V
TiV2Al is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiV2Al clusters. Ti(1) is bonded in an L-shaped geometry to two equivalent V(1) atoms. Both Ti(1)-V(1) bond lengths are 0.40 Å. V(1) is bonded in an L-shaped geometry to one Ti(1) and one Al(1) atom. The V(1)-Al(1) bond length is 0.40 Å. Al(1) is bonded in an L-shaped geometry to two equivalent V(1) atoms.