data_TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   2.8
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV
_chemical_formula_sum   'Ti2 V2'
_cell_volume   61.95
_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  0.43  0.0  0.27  1.0
  Ti  Ti1  1  0.14  0.0  0.57  1.0
  V  V2  1  0.43  0.4  0.76  1.0
  V  V3  1  0.14  0.4  0.08  1.0

data_TiV
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.57
_cell_length_b   2.8
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TiV
_chemical_formula_sum   'Ti2 V2'
_cell_volume   61.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.14  0.0  0.85  1.0
  V  V1  2  0.14  0.4  0.34  1.0

Ti Ti V V