data_[Cs6Si2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.8510]
_cell_length_b [13.6885]
_cell_length_c [7.2455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3SiS4]
_chemical_formula_sum '[Cs6 Si2 S8]'
_cell_volume [580.3023]
_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  0.0000  0.2843  0.6410  1.0
  Cs  Cs1  2  0.0000  0.0000  0.8572  1.0
  Si  Si2  2  0.0000  0.5000  0.0214  1.0
  S  S3  4  0.0000  0.3699  0.1825  1.0
  S  S4  4  0.2372  0.0000  0.3127  1.0
]