data_Ba5V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.43
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5V
_chemical_formula_sum   'Ba5 V1'
_cell_volume   344.81
_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  0.71  0.14  0.0  1.0
  Ba  Ba1  1  0.0  0.29  0.0  1.0
  Ba  Ba2  1  0.14  0.22  0.61  1.0
  Ba  Ba3  1  0.86  0.22  0.61  1.0
  Ba  Ba4  1  0.71  0.0  0.61  1.0
  V  V5  1  0.0  0.0  0.0  1.0

data_Ba5V
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.22
_cell_length_b   7.43
_cell_length_c   7.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5V
_chemical_formula_sum   'Ba5 V1'
_cell_volume   344.81
_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  0.71  0.14  1.0
  Ba  Ba1  1  0.0  -0.0  0.29  1.0
  Ba  Ba2  1  0.61  0.14  0.22  1.0
  Ba  Ba3  1  0.61  0.71  0.0  1.0
  Ba  Ba4  1  0.61  0.86  0.22  1.0
  V  V5  1  0.0  0.0  0.0  1.0

Ba Ba Ba Ba Ba V
Ba Ba Ba Ba Ba V 0 1 + o o 1 5 o o o 2 3 - o o 3 4 o o o 