data_V2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83
_cell_length_b   10.83
_cell_length_c   10.83
_cell_angle_alpha   166.8
_cell_angle_beta   166.8
_cell_angle_gamma   18.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2B
_chemical_formula_sum   'V4 B2'
_cell_volume   66.27
_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
  V  V2  1  0.25  0.0  0.83  1.0
  V  V3  1  0.0  0.0  0.2  1.0
  V  V4  1  0.25  0.0  0.85  1.0
  V  V5  1  0.0  0.0  0.17  1.0
  B  B0  1  0.0  0.25  0.34  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_V2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   2.49
_cell_length_c   10.83
_cell_angle_alpha   96.6
_cell_angle_beta   96.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2B
_chemical_formula_sum   'V4 B2'
_cell_volume   66.27
_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
  V  V0  1  0.17  0.17  0.17  1.0
  V  V1  1  0.2  0.2  0.2  1.0
  V  V2  1  0.83  0.59  0.59  1.0
  V  V3  1  0.85  0.61  0.61  1.0
  B  B4  1  0.0  0.0  0.0  1.0
  B  B5  1  0.1  0.34  0.1  1.0

V V V V B B
V V V V B B 0 2 o o o 1 3 o o o 1 4 o o o 3 4 o o o 4 5 o o o 