data_[S8Xe4O24F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  Xe  2.6000  2.16  0.6200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0533]
_cell_length_b [13.8842]
_cell_length_c [10.1899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [S2Xe(O3F)2]
_chemical_formula_sum '[S8 Xe4 O24 F8]'
_cell_volume [800.6338]
_cell_formula_units_Z [4]
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
[
  S  S0  4  0.0865  0.5368  0.7544  1
  S  S1  4  0.3825  0.2012  0.7071  1
  Xe  Xe2  4  0.2746  0.6275  0.2736  1
  O  O3  4  0.0683  0.6202  0.6651  1
  O  O4  4  0.1286  0.5282  0.3675  1
  O  O5  4  0.1356  0.5429  0.9119  1
  O  O6  4  0.3496  0.1872  0.5558  1
  O  O7  4  0.4076  0.1221  0.8067  1
  O  O8  4  0.4223  0.7252  0.1779  1
  F  F9  4  0.1522  0.2423  0.1608  1
  F  F10  4  0.2959  0.0258  0.2797  1
]