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 [P6_3]
_cell_length_a [17.1758]
_cell_length_b [17.1758]
_cell_length_c [16.6482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [SnS]
_chemical_formula_sum '[Sn8 S8]'
_cell_volume [4253.3741]
_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  6  0.0286  0.1369  0.9815  1
  Sn  Sn1  2  0.0000  0.0000  0.1613  1
  S  S2  6  0.0284  0.1384  0.5725  1
  S  S3  2  0.0000  0.0000  0.3897  1
]