data_[Cs12S2I4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.7893]
_cell_length_b [12.5677]
_cell_length_c [9.1572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs6SI2O]
_chemical_formula_sum '[Cs12 S2 I4 O2]'
_cell_volume [1011.5101]
_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  0.2338  0.2268  1
  Cs  Cs1  4  0.2318  0.0000  0.9905  1
  Cs  Cs2  4  0.2482  0.5000  0.5548  1
  S  S3  2  0.0000  0.5000  0.2725  1
  I  I4  4  0.0000  0.2659  0.7843  1
  O  O5  2  0.0000  0.0000  0.2372  1
]