data_Sn3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   40.08
_cell_angle_beta   40.08
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn3S2
_chemical_formula_sum   'Sn6 S4'
_cell_volume   258.62
_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
  Sn  Sn4  1  0.05  0.88  0.22  1.0
  Sn  Sn5  1  0.08  0.37  0.22  1.0
  Sn  Sn6  1  0.87  0.75  0.22  1.0
  Sn  Sn7  1  0.13  0.25  0.16  1.0
  Sn  Sn8  1  0.92  0.63  0.16  1.0
  Sn  Sn9  1  0.95  0.12  0.16  1.0
  S  S0  1  0.0  0.0  0.35  1.0
  S  S1  1  0.0  0.0  0.84  1.0
  S  S2  1  0.0  0.0  0.53  1.0
  S  S3  1  0.0  0.0  0.03  1.0

data_Sn3S2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   8.85
_cell_angle_alpha   69.96
_cell_angle_beta   69.96
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sn3S2
_chemical_formula_sum   'Sn6 S4'
_cell_volume   258.62
_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
  Sn  Sn0  2  0.12  0.47  0.96  1.0
  Sn  Sn1  2  0.25  0.47  0.65  1.0
  Sn  Sn2  2  0.37  0.53  0.51  1.0
  S  S3  2  0.0  0.15  0.35  1.0
  S  S4  2  0.0  0.34  0.16  1.0

Sn Sn Sn Sn Sn Sn S S S S