data_SnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   5.77
_cell_length_c   24.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnS
_chemical_formula_sum   'Sn2 S2'
_cell_volume   522.66
_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  Sn0  1  0.0  0.25  0.08  1.0
  Sn  Sn1  1  0.5  0.75  0.17  1.0
  S  S2  1  0.0  0.75  0.1  1.0
  S  S3  1  0.5  0.25  0.15  1.0

Sn Sn S S 0 3 - o o 0 3 o o o 0 2 o - o 0 2 o o o 1 2 o o o 1 2 + o o 1 3 o o o 1 3 o + o 
data_SnS
_symmetry_space_group_name_H-M   Pmmn
_cell_length_a   3.76
_cell_length_b   5.77
_cell_length_c   24.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   59
_chemical_formula_structural   SnS
_chemical_formula_sum   'Sn2 S2'
_cell_volume   522.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  'x+1/2, -y+1/2, -z'
  4  '-x+1/2, y+1/2, -z'
  5  '-x+1/2, -y+1/2, -z'
  6  'x+1/2, y+1/2, -z'
  7  '-x, y, z'
  8  '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  0.0  0.95  1.0
  S  S1  2  0.0  0.5  0.97  1.0

Sn Sn S S