data_[As4S8Xe4N8F52]
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 [P2_1/c]
_cell_length_a [7.4562]
_cell_length_b [12.2607]
_cell_length_c [15.1771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AsS2XeN2F13]
_chemical_formula_sum '[As4 S8 Xe4 N8 F52]'
_cell_volume [1261.5408]
_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  0.2381  0.7365  0.1200  1
  S  S1  4  0.1576  0.0316  0.3001  1
  S  S2  4  0.3998  0.1699  0.0566  1
  Xe  Xe3  4  0.1644  0.1145  0.6614  1
  N  N4  4  0.0581  0.0122  0.7470  1
  N  N5  4  0.3610  0.2261  0.5862  1
  F  F6  4  0.0579  0.6309  0.0734  1
  F  F7  4  0.0755  0.6720  0.5326  1
  F  F8  4  0.1081  0.0918  0.1968  1
  F  F9  4  0.1370  0.7259  0.7028  1
  F  F10  4  0.2339  0.5210  0.9076  1
  F  F11  4  0.2360  0.1447  0.3500  1
  F  F12  4  0.3282  0.0595  0.0832  1
  F  F13  4  0.3298  0.1414  0.9462  1
  F  F14  4  0.3380  0.6963  0.0375  1
  F  F15  4  0.3420  0.5208  0.7922  1
  F  F16  4  0.3820  0.6317  0.4136  1
  F  F17  4  0.3981  0.6431  0.2072  1
  F  F18  4  0.4189  0.6598  0.6655  1
]