data_VS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05
_cell_length_b   8.05
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VS3
_chemical_formula_sum   'V2 S6'
_cell_volume   162.45
_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  0.0  0.65  0.72  1.0
  V  V7  1  0.02  0.32  0.17  1.0
  S  S0  1  0.0  0.86  0.17  1.0
  S  S1  1  0.55  0.54  0.17  1.0
  S  S2  1  0.45  0.54  0.17  1.0
  S  S3  1  0.02  0.11  0.72  1.0
  S  S4  1  0.48  0.43  0.72  1.0
  S  S5  1  0.57  0.43  0.72  1.0

data_VS3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.89
_cell_length_b   8.05
_cell_length_c   8.05
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VS3
_chemical_formula_sum   'V2 S6'
_cell_volume   162.45
_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  0.28  0.99  0.16  1.0
  S  S1  2  0.28  0.01  0.62  1.0
  S  S2  2  0.28  0.47  0.95  1.0
  S  S3  2  0.28  0.56  0.95  1.0

V V S S S S S S