data_[Si4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9564]
_cell_length_b [8.1205]
_cell_length_c [5.9203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SiS2]
_chemical_formula_sum '[Si4 S8]'
_cell_volume [324.9334]
_cell_formula_units_Z [4]
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
[
  Si  Si0  4  0.1069  0.6354  0.6077  1.0
  S  S1  4  0.2064  0.1010  0.0157  1.0
  S  S2  4  0.2244  0.6501  0.9782  1.0
]