data_[Cs12S2I4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0094]
_cell_length_b [15.3537]
_cell_length_c [9.4823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs6S(ICl)2]
_chemical_formula_sum '[Cs12 S2 I4 Cl4]'
_cell_volume [1242.5549]
_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  8  0.2205  0.1666  0.7045  1.0
  Cs  Cs1  4  0.2353  0.0000  0.2924  1.0
  S  S2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.0000  0.1732  0.0000  1.0
  Cl  Cl4  4  0.0000  0.3378  0.5000  1.0
]