data_V7Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   35.25
_cell_angle_beta   35.25
_cell_angle_gamma   35.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V7Cl6
_chemical_formula_sum   'V7 Cl6'
_cell_volume   226.16
_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
  V  V6  1  0.38  0.94  0.35  1.0
  V  V7  1  0.0  0.13  0.35  1.0
  V  V8  1  0.62  0.94  0.35  1.0
  V  V9  1  0.62  0.06  0.3  1.0
  V  V10  1  0.38  0.06  0.3  1.0
  V  V11  1  0.0  0.87  0.3  1.0
  V  V12  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.61  1.0
  Cl  Cl1  1  0.0  0.0  0.04  1.0
  Cl  Cl2  1  0.0  0.0  0.79  1.0
  Cl  Cl3  1  0.0  0.0  0.86  1.0
  Cl  Cl4  1  0.0  0.0  0.34  1.0
  Cl  Cl5  1  0.0  0.0  0.31  1.0

data_V7Cl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   9.13
_cell_angle_alpha   72.37
_cell_angle_beta   72.37
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V7Cl6
_chemical_formula_sum   'V7 Cl6'
_cell_volume   226.16
_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
  V  V0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.06  0.65  0.67  1.0
  V  V2  1  0.06  0.65  0.91  1.0
  V  V3  1  0.13  0.7  0.17  1.0
  V  V4  1  0.87  0.65  0.48  1.0
  V  V5  1  0.94  0.7  0.74  1.0
  V  V6  1  0.94  0.7  0.98  1.0
  Cl  Cl7  1  0.0  0.14  0.86  1.0
  Cl  Cl8  1  0.0  0.21  0.79  1.0
  Cl  Cl9  1  0.0  0.39  0.61  1.0
  Cl  Cl10  1  0.0  0.66  0.34  1.0
  Cl  Cl11  1  0.0  0.69  0.31  1.0
  Cl  Cl12  1  0.0  0.96  0.04  1.0

V V V V V V V Cl Cl Cl Cl Cl Cl
V V V V V V V Cl Cl Cl Cl Cl Cl 0 4 o + o 0 7 o + o 1 11 o o o 1 7 o o o 2 3 o + o 5 12 o + o 6 8 o o o 7 9 o o o 9 10 o o o 11 12 o o o 