data_Ba2TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   143.76
_cell_angle_beta   123.3
_cell_angle_gamma   69.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiV
_chemical_formula_sum   'Ba2 Ti1 V1'
_cell_volume   133.11
_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
  Ba  Ba0  1  0.0  0.0  0.38  1.0
  Ba  Ba1  1  0.0  0.08  0.36  1.0
  Ti  Ti2  1  0.0  0.0  0.45  1.0
  V  V3  1  0.02  0.0  0.5  1.0

data_Ba2TiV
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   6.17
_cell_length_c   6.49
_cell_angle_alpha   118.35
_cell_angle_beta   108.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TiV
_chemical_formula_sum   'Ba2 Ti1 V1'
_cell_volume   133.11
_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
  Ba  Ba0  1  0.62  0.62  0.62  1.0
  Ba  Ba1  1  0.64  0.72  0.72  1.0
  Ti  Ti2  1  0.55  0.55  0.55  1.0
  V  V3  1  0.52  0.5  0.52  1.0

Ba Ba Ti V