data_SnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   145.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnS
_chemical_formula_sum   'Sn2 S2'
_cell_volume   133.43
_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  0.9  0.14  0.34  1.0
  Sn  Sn1  1  0.9  0.86  0.45  1.0
  S  S2  1  0.9  0.3  0.34  1.0
  S  S3  1  0.9  0.7  0.45  1.0

data_SnS
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.81
_cell_length_b   5.79
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   107.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnS
_chemical_formula_sum   'Sn2 S2'
_cell_volume   133.43
_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  0.14  0.55  0.14  1.0
  S  S1  2  0.3  0.55  0.3  1.0

Sn Sn S S
Sn Sn S S 0 2 o o o 1 3 o o o 