data_V5Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   99.23
_cell_angle_beta   99.23
_cell_angle_gamma   132.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Se3
_chemical_formula_sum   'V10 Se6'
_cell_volume   233.77
_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  V6  1  0.56  0.0  0.68  1.0
  V  V7  1  0.0  0.56  0.68  1.0
  V  V8  1  0.48  0.97  0.61  1.0
  V  V9  1  0.08  0.59  0.79  1.0
  V  V10  1  0.52  0.97  0.79  1.0
  V  V11  1  0.04  0.59  0.61  1.0
  V  V12  1  0.41  0.04  0.61  1.0
  V  V13  1  0.14  0.52  0.79  1.0
  V  V14  1  0.97  0.52  0.61  1.0
  V  V15  1  0.59  0.04  0.79  1.0
  Se  Se0  1  0.0  0.0  0.24  1.0
  Se  Se1  1  0.0  0.0  0.05  1.0
  Se  Se2  1  0.56  1.0  0.19  1.0
  Se  Se3  1  1.0  0.56  0.38  1.0
  Se  Se4  1  1.0  0.44  0.19  1.0
  Se  Se5  1  0.56  0.11  0.38  1.0

data_V5Se3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.63
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   80.77
_cell_angle_beta   66.39
_cell_angle_gamma   66.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Se3
_chemical_formula_sum   'V10 Se6'
_cell_volume   233.77
_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  0.56  0.32  1.0
  V  V1  1  0.04  0.38  0.39  1.0
  V  V2  1  0.04  0.55  0.21  1.0
  V  V3  1  0.52  0.45  0.39  1.0
  V  V4  1  0.52  0.62  0.21  1.0
  V  V5  1  0.56  0.44  0.32  1.0
  V  V6  1  0.59  0.45  0.39  1.0
  V  V7  1  0.59  0.49  0.21  1.0
  V  V8  1  0.97  0.51  0.39  1.0
  V  V9  1  0.97  0.55  0.21  1.0
  Se  Se10  1  0.0  0.0  0.76  1.0
  Se  Se11  1  0.0  0.0  0.95  1.0
  Se  Se12  1  0.11  0.44  0.62  1.0
  Se  Se13  1  0.44  0.56  0.81  1.0
  Se  Se14  1  0.56  0.44  0.62  1.0
  Se  Se15  1  1.0  0.56  0.81  1.0

V V V V V V V V V V Se Se Se Se Se Se
V V V V V V V V V V Se Se Se Se Se Se 0 2 o - o 1 8 - o o 1 3 o o o 2 6 o + o 3 7 o o o 4 9 o + o 5 8 - o o 5 13 - o o 8 13 o o o 10 11 o o o 12 15 o + o 13 14 o o o 