data_[Cs2Fe2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0931]
_cell_length_b [5.2047]
_cell_length_c [8.2080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsFe(SO4)2]
_chemical_formula_sum '[Cs2 Fe2 S4 O16]'
_cell_volume [343.3880]
_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  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  2  0.0000  0.0000  0.5000  1
  S  S2  4  0.1217  0.5000  0.3075  1
  O  O3  8  0.0160  0.2683  0.3263  1
  O  O4  4  0.1772  0.5000  0.1454  1
  O  O5  4  0.2414  0.0000  0.5559  1
]