data_[Sn8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/m]
_cell_length_a [11.3060]
_cell_length_b [11.3060]
_cell_length_c [3.8521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [SnS]
_chemical_formula_sum '[Sn8 S8]'
_cell_volume [492.3918]
_cell_formula_units_Z [8]
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  4  0.0741  0.7110  0.0000  1.0
  Sn  Sn1  4  0.3058  0.4077  0.5000  1.0
  S  S2  4  0.1780  0.4949  0.0000  1.0
  S  S3  4  0.1923  0.2014  0.5000  1.0
]