data_Ba2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.2
_cell_length_b   8.57
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2V
_chemical_formula_sum   'Ba4 V2'
_cell_volume   293.93
_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
  Ba  Ba0  1  0.76  0.73  0.0  1.0
  Ba  Ba1  1  0.43  0.84  0.0  1.0
  Ba  Ba2  1  0.86  0.13  0.09  1.0
  Ba  Ba3  1  0.34  0.44  0.09  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.1  0.29  0.09  1.0

data_Ba2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   8.2
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2V
_chemical_formula_sum   'Ba4 V2'
_cell_volume   293.93
_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
  Ba  Ba0  1  0.0  0.76  0.73  1.0
  Ba  Ba1  1  0.0  0.43  0.84  1.0
  Ba  Ba2  1  0.09  0.34  0.44  1.0
  Ba  Ba3  1  0.09  0.86  0.13  1.0
  V  V4  1  0.0  0.0  0.0  1.0
  V  V5  1  0.09  0.1  0.29  1.0

Ba Ba Ba Ba V V