data_[Cs4Li4Zr2S8]
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
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8146]
_cell_length_b [4.0065]
_cell_length_c [7.9576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Li2ZrS4]
_chemical_formula_sum '[Cs4 Li4 Zr2 S8]'
_cell_volume [448.3318]
_cell_formula_units_Z [2]
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  0.1396  0.0000  0.5631  1.0
  Li  Li1  4  0.1779  0.5000  0.9821  1.0
  Zr  Zr2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0160  0.5000  0.7910  1.0
  S  S4  4  0.1831  0.0000  0.1448  1.0
]