data_VBSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBSe3
_chemical_formula_sum   'V2 B2 Se6'
_cell_volume   209.03
_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  V8  1  0.0  0.0  0.72  1.0
  V  V9  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.85  0.36  1.0
  B  B1  1  0.33  0.92  0.08  1.0
  Se  Se2  1  0.55  0.74  0.08  1.0
  Se  Se3  1  0.45  0.74  0.08  1.0
  Se  Se4  1  0.0  0.06  0.08  1.0
  Se  Se5  1  0.78  0.03  0.36  1.0
  Se  Se6  1  0.88  0.03  0.36  1.0
  Se  Se7  1  0.33  0.71  0.36  1.0

data_VBSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBSe3
_chemical_formula_sum   'V2 B2 Se6'
_cell_volume   209.03
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.72  0.0  0.0  1.0
  B  B2  1  0.08  0.33  0.92  1.0
  B  B3  1  0.36  0.0  0.85  1.0
  Se  Se4  1  0.08  0.0  0.06  1.0
  Se  Se5  1  0.08  0.45  0.74  1.0
  Se  Se6  1  0.08  0.55  0.74  1.0
  Se  Se7  1  0.36  0.33  0.71  1.0
  Se  Se8  1  0.36  0.78  0.03  1.0
  Se  Se9  1  0.36  0.88  0.03  1.0

V V B B Se Se Se Se Se Se