data_[S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1313]
_cell_length_b [5.6438]
_cell_length_c [5.8302]
_cell_angle_alpha [61.5297]
_cell_angle_beta [71.7152]
_cell_angle_gamma [71.9313]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [S]
_chemical_formula_sum '[S4]'
_cell_volume [138.2987]
_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
[
  S  S0  2  0.3059  0.5329  0.6420  1.0
  S  S1  2  0.4240  0.3427  0.9886  1.0
]