data_Sn2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   8.67
_cell_angle_alpha   120.97
_cell_angle_beta   120.97
_cell_angle_gamma   34.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2S
_chemical_formula_sum   'Sn4 S2'
_cell_volume   154.4
_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  Sn2  1  0.57  0.0  0.92  1.0
  Sn  Sn3  1  0.23  0.0  0.49  1.0
  Sn  Sn4  1  0.71  0.0  0.81  1.0
  Sn  Sn5  1  0.36  0.0  0.39  1.0
  S  S0  1  0.08  0.0  0.61  1.0
  S  S1  1  0.85  0.0  0.69  1.0

data_Sn2S
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.64
_cell_length_b   6.08
_cell_length_c   7.61
_cell_angle_alpha   77.7
_cell_angle_beta   76.15
_cell_angle_gamma   72.58
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sn2S
_chemical_formula_sum   'Sn4 S2'
_cell_volume   154.4
_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  0.0  0.34  0.76  1.0
  Sn  Sn1  2  0.0  0.42  0.34  1.0
  S  S2  2  0.0  0.15  0.46  1.0

Sn Sn Sn Sn S S