data_VSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSe2
_chemical_formula_sum   'V2 Se4'
_cell_volume   118.14
_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  V4  1  0.0  0.0  0.17  1.0
  V  V5  1  0.0  0.0  0.06  1.0
  Se  Se0  1  0.0  0.93  0.74  1.0
  Se  Se1  1  0.67  0.96  0.63  1.0
  Se  Se2  1  0.67  0.96  0.48  1.0
  Se  Se3  1  0.0  0.93  0.59  1.0

data_VSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSe2
_chemical_formula_sum   'V2 Se4'
_cell_volume   118.14
_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  0.06  1.0
  V  V1  1  0.0  0.0  0.17  1.0
  Se  Se2  1  -0.0  0.93  0.59  1.0
  Se  Se3  1  -0.0  0.93  0.74  1.0
  Se  Se4  1  0.67  0.96  0.48  1.0
  Se  Se5  1  0.67  0.96  0.63  1.0

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