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 [P2_12_12_1]
_cell_length_a [6.0266]
_cell_length_b [6.1297]
_cell_length_c [11.5011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [SnS]
_chemical_formula_sum '[Sn8 S8]'
_cell_volume [424.8681]
_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  0.2220  0.4930  0.4725  1.0
  Sn  Sn1  4  0.2440  0.0644  0.7728  1.0
  S  S2  4  0.1584  0.0894  0.5426  1.0
  S  S3  4  0.1728  0.3606  0.2477  1.0
]