data_[As4C72F68]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [9.0150]
_cell_length_b [11.3284]
_cell_length_c [18.5253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [AsC18F17]
_chemical_formula_sum '[As4 C72 F68]'
_cell_volume [1891.9148]
_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  0.0000  0.1310  0.2500  1
  C  C1  8  0.0116  0.0606  0.8543  1
  C  C2  8  0.0282  0.1219  0.5833  1
  C  C3  8  0.0295  0.4873  0.3138  1
  C  C4  8  0.0299  0.3642  0.3132  1
  C  C5  8  0.0592  0.0448  0.1644  1
  C  C6  8  0.1407  0.0772  0.5391  1
  C  C7  8  0.1706  0.0884  0.1195  1
  C  C8  8  0.2120  0.0288  0.0567  1
  C  C9  4  0.0000  0.3016  0.2500  1
  C  C10  4  0.0000  0.4510  0.7500  1
  F  F11  8  0.0416  0.2224  0.9350  1
  F  F12  8  0.0567  0.4538  0.8754  1
  F  F13  8  0.0577  0.3069  0.3758  1
  F  F14  8  0.1189  0.1063  0.8119  1
  F  F15  8  0.1783  0.1349  0.4785  1
  F  F16  8  0.1843  0.4262  0.5124  1
  F  F17  8  0.1924  0.1304  0.2821  1
  F  F18  8  0.2382  0.1922  0.1347  1
  F  F19  4  0.0000  0.3329  0.7500  1
]