data_TiAlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlV2
_chemical_formula_sum   'Ti1 Al1 V2'
_cell_volume   58.89
_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  0.41  0.82  0.25  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.63  0.4  1.0
  V  V3  1  0.0  0.63  0.1  1.0

data_TiAlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAlV2
_chemical_formula_sum   'Ti1 Al1 V2'
_cell_volume   58.89
_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  0.41  0.82  0.25  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  V  V2  1  -0.0  0.63  0.1  1.0
  V  V3  1  -0.0  0.63  0.4  1.0

Ti Al V V