data_[As2S6N4F12]
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
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1688]
_cell_length_b [7.2958]
_cell_length_c [9.0941]
_cell_angle_alpha [90.2862]
_cell_angle_beta [98.2762]
_cell_angle_gamma [104.8148]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsS3(NF3)2]
_chemical_formula_sum '[As2 S6 N4 F12]'
_cell_volume [327.7781]
_cell_formula_units_Z [2]
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  2  0.0733  0.2253  0.7755  1
  S  S1  2  0.2588  0.3577  0.1969  1
  S  S2  2  0.4411  0.7415  0.5552  1
  S  S3  2  0.4516  0.7970  0.8557  1
  N  N4  2  0.3290  0.3517  0.3742  1
  N  N5  2  0.3334  0.8223  0.6871  1
  F  F6  2  0.0294  0.4234  0.6725  1
  F  F7  2  0.1288  0.0333  0.8812  1
  F  F8  2  0.1376  0.9312  0.3671  1
  F  F9  2  0.2010  0.7696  0.1324  1
  F  F10  2  0.2899  0.3830  0.9184  1
  F  F11  2  0.3545  0.2279  0.6870  1
]