data_[As8S8Xe8N8F80]
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
  Xe  2.6000  2.16  0.6200
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [9.1013]
_cell_length_b [12.7894]
_cell_length_c [16.7879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [AsSXeNF10]
_chemical_formula_sum '[As8 S8 Xe8 N8 F80]'
_cell_volume [1954.1058]
_cell_formula_units_Z [8]
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  8  0.2227  0.0903  0.1367  1
  S  S1  8  0.2106  0.1590  0.4384  1
  Xe  Xe2  8  0.0515  0.1833  0.7924  1
  N  N3  8  0.1863  0.2457  0.8960  1
  F  F4  8  0.0321  0.0860  0.1585  1
  F  F5  8  0.0660  0.6251  0.7998  1
  F  F6  8  0.0855  0.5959  0.1154  1
  F  F7  8  0.1102  0.1251  0.5079  1
  F  F8  8  0.1436  0.6565  0.4848  1
  F  F9  8  0.1857  0.0645  0.0349  1
  F  F10  8  0.2098  0.2267  0.1175  1
  F  F11  8  0.2235  0.0509  0.3980  1
  F  F12  8  0.2376  0.5454  0.6558  1
  F  F13  8  0.2384  0.6186  0.2380  1
]