data_[Cs4Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9052]
_cell_length_b [3.7731]
_cell_length_c [9.0293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2SbS4]
_chemical_formula_sum '[Cs4 Sb2 S8]'
_cell_volume [434.1100]
_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  0.1674  0.5000  0.6671  1
  Sb  Sb1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.0516  0.0000  0.2992  1
  S  S3  4  0.1332  0.5000  0.0294  1
]