data_[Li24P4S20I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.3183]
_cell_length_b [10.3183]
_cell_length_c [10.3183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Li6PS5I]
_chemical_formula_sum '[Li24 P4 S20 I4]'
_cell_volume [1098.5592]
_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
[
  Li  Li0  24  0.0238  0.2500  0.7500  1.0
  P  P1  4  0.0000  0.0000  0.5000  1.0
  S  S2  16  0.1156  0.1156  0.3844  1.0
  S  S3  4  0.2500  0.2500  0.7500  1.0
  I  I4  4  0.0000  0.0000  0.0000  1.0
]