data_[Li8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.6494]
_cell_length_b [7.2410]
_cell_length_c [7.5702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [LiS]
_chemical_formula_sum '[Li8 S8]'
_cell_volume [309.6735]
_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
[
  Li  Li0  4  0.0796  0.5788  0.5780  1.0
  Li  Li1  4  0.1964  0.2204  0.3769  1.0
  S  S2  4  0.1139  0.5490  0.2638  1.0
  S  S3  4  0.1244  0.2518  0.6942  1.0
]