data_V3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   65.11
_cell_angle_beta   65.11
_cell_angle_gamma   65.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3S2
_chemical_formula_sum   'V6 S4'
_cell_volume   139.11
_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  0.45  0.26  0.5  1.0
  V  V5  1  0.77  0.62  0.5  1.0
  V  V6  1  0.79  0.13  0.5  1.0
  V  V7  1  0.21  0.87  0.7  1.0
  V  V8  1  0.23  0.38  0.7  1.0
  V  V9  1  0.55  0.74  0.7  1.0
  S  S0  1  0.0  0.0  0.09  1.0
  S  S1  1  0.0  0.0  0.51  1.0
  S  S2  1  0.0  0.0  0.69  1.0
  S  S3  1  0.0  0.0  0.11  1.0

data_V3S2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   65.11
_cell_angle_beta   65.11
_cell_angle_gamma   65.11
_symmetry_Int_Tables_number   2
_chemical_formula_structural   V3S2
_chemical_formula_sum   'V6 S4'
_cell_volume   139.11
_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  0.13  0.79  0.9  1.0
  V  V1  2  0.26  0.45  0.9  1.0
  V  V2  2  0.38  0.23  0.1  1.0
  S  S3  2  0.0  0.0  0.09  1.0
  S  S4  2  0.0  0.0  0.49  1.0

V V V V V V S S S S