data_TaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV
_chemical_formula_sum   'Ta2 V2'
_cell_volume   65.63
_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
  Ta  Ta0  1  0.52  0.65  0.34  1.0
  Ta  Ta1  1  0.52  0.35  0.11  1.0
  V  V2  1  0.52  0.02  0.34  1.0
  V  V3  1  0.52  0.98  0.11  1.0

data_TaV
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.05
_cell_length_b   4.45
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaV
_chemical_formula_sum   'Ta2 V2'
_cell_volume   65.63
_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
  Ta  Ta0  2  0.35  0.61  0.35  1.0
  V  V1  2  0.02  0.39  0.02  1.0

Ta Ta V V