data_[As4S4O4F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.9787]
_cell_length_b [6.7770]
_cell_length_c [7.9722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AsSOF9]
_chemical_formula_sum '[As4 S4 O4 F36]'
_cell_volume [539.1321]
_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
[
  As  As0  4  0.0101  0.2500  0.2015  1
  S  S1  4  0.1856  0.7500  0.3304  1
  O  O2  4  0.2298  0.2500  0.6927  1
  F  F3  8  0.1100  0.5666  0.7684  1
  F  F4  8  0.1343  0.0682  0.1725  1
  F  F5  8  0.1992  0.5821  0.4520  1
  F  F6  4  0.0153  0.7500  0.0143  1
  F  F7  4  0.0376  0.7500  0.3048  1
  F  F8  4  0.0476  0.2500  0.4174  1
]