data_Ti2Al3V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   3.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Al3V
_chemical_formula_sum   'Ti2 Al3 V1'
_cell_volume   93.69
_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  Ti3  1  0.03  0.96  0.0  1.0
  Ti  Ti4  1  0.03  0.04  0.0  1.0
  Al  Al0  1  0.03  0.7  0.82  1.0
  Al  Al1  1  0.03  0.3  0.82  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  V  V5  1  0.03  0.0  0.82  1.0

data_Ti2Al3V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.06
_cell_length_c   6.67
_cell_angle_alpha   107.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Al3V
_chemical_formula_sum   'Ti2 Al3 V1'
_cell_volume   93.69
_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  Ti0  1  -0.0  0.96  0.99  1.0
  Ti  Ti1  1  -0.0  0.04  0.07  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Al  Al3  1  0.82  0.3  0.32  1.0
  Al  Al4  1  0.82  0.7  0.73  1.0
  V  V5  1  0.82  0.0  0.03  1.0

Ti Ti Al Al Al V