data_VSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.31
_cell_length_b   13.31
_cell_length_c   13.31
_cell_angle_alpha   167.04
_cell_angle_beta   166.05
_cell_angle_gamma   19.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VSn2
_chemical_formula_sum   'V2 Sn4'
_cell_volume   127.58
_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  0.81  0.83  1.0
  V  V5  1  0.5  0.81  0.3  1.0
  Sn  Sn0  1  0.5  0.19  0.71  1.0
  Sn  Sn1  1  0.0  0.43  0.42  1.0
  Sn  Sn2  1  0.5  0.19  1.0  1.0
  Sn  Sn3  1  0.0  0.43  0.13  1.0

data_VSn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.01
_cell_length_b   3.23
_cell_length_c   13.31
_cell_angle_alpha   96.97
_cell_angle_beta   96.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VSn2
_chemical_formula_sum   'V2 Sn4'
_cell_volume   127.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.02  0.26  0.52  1.0
  Sn  Sn1  2  0.32  0.95  0.2  1.0
  Sn  Sn2  2  0.4  0.76  0.51  1.0

V V Sn Sn Sn Sn
V V Sn Sn Sn Sn 0 3 o o o 1 2 o + o 4 4 + o + 4 4 o + + 5 5 + o + 5 5 o + + 