data_[Cs4Li12S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2323]
_cell_length_b [4.2157]
_cell_length_c [8.4877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLi3S2]
_chemical_formula_sum '[Cs4 Li12 S8]'
_cell_volume [533.9955]
_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
[
  Cs  Cs0  4  0.1334  0.0000  0.0430  1.0
  Li  Li1  4  0.0618  0.0000  0.3920  1.0
  Li  Li2  4  0.0950  0.5000  0.6271  1.0
  Li  Li3  4  0.1891  0.5000  0.4571  1.0
  S  S4  4  0.0257  0.5000  0.2791  1.0
  S  S5  4  0.1918  0.0000  0.6464  1.0
]