data_Ti2Al2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   7.09
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Al2V
_chemical_formula_sum   'Ti4 Al4 V2'
_cell_volume   159.04
_cell_formula_units_Z   2
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  Ti4  1  0.66  0.18  0.63  1.0
  Ti  Ti5  1  0.21  0.91  0.63  1.0
  Ti  Ti6  1  0.22  0.37  0.63  1.0
  Ti  Ti7  1  0.64  0.73  0.63  1.0
  Al  Al0  1  0.96  0.65  0.0  1.0
  Al  Al1  1  0.9  0.45  0.0  1.0
  Al  Al2  1  0.53  0.9  0.0  1.0
  Al  Al3  1  0.33  0.19  0.0  1.0
  V  V8  1  0.0  0.0  0.0  1.0
  V  V9  1  0.43  0.55  0.0  1.0

data_Ti2Al2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   6.86
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Al2V
_chemical_formula_sum   'Ti4 Al4 V2'
_cell_volume   159.04
_cell_formula_units_Z   2
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  Ti0  1  0.63  0.21  0.91  1.0
  Ti  Ti1  1  0.63  0.22  0.37  1.0
  Ti  Ti2  1  0.63  0.64  0.73  1.0
  Ti  Ti3  1  0.63  0.66  0.18  1.0
  Al  Al4  1  0.0  0.53  0.9  1.0
  Al  Al5  1  0.0  0.33  0.19  1.0
  Al  Al6  1  0.0  0.96  0.65  1.0
  Al  Al7  1  0.0  0.9  0.45  1.0
  V  V8  1  0.0  0.0  0.0  1.0
  V  V9  1  0.0  0.43  0.55  1.0

Ti Ti Ti Ti Al Al Al Al V V