data_[As4Se4S12N20F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  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 [Pc]
_cell_length_a [12.1700]
_cell_length_b [6.8520]
_cell_length_c [13.1466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [AsSeS3N5F6]
_chemical_formula_sum '[As4 Se4 S12 N20 F24]'
_cell_volume [1091.4895]
_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  2  0.0037  0.0743  0.8981  1
  As  As1  2  0.5054  0.1489  0.4046  1
  Se  Se2  2  0.1339  0.3397  0.2249  1
  Se  Se3  2  0.8739  0.3425  0.5799  1
  S  S4  2  0.2387  0.4221  0.5772  1
  S  S5  2  0.2979  0.3425  0.7879  1
  S  S6  2  0.3127  0.1840  0.1033  1
  S  S7  2  0.6963  0.1848  0.7031  1
  S  S8  2  0.7100  0.3391  0.0199  1
  S  S9  2  0.7712  0.4228  0.2301  1
  N  N10  2  0.1243  0.4964  0.6132  1
  N  N11  2  0.2222  0.4890  0.3198  1
  N  N12  2  0.2323  0.1484  0.1869  1
  N  N13  2  0.3193  0.3115  0.6736  1
  N  N14  2  0.3274  0.3916  0.0574  1
  N  N15  2  0.6837  0.3901  0.7523  1
  N  N16  2  0.6883  0.3150  0.1346  1
  N  N17  2  0.7732  0.1535  0.6163  1
  N  N18  2  0.7879  0.4974  0.4860  1
  N  N19  2  0.8850  0.4961  0.1925  1
  F  F20  2  0.0092  0.3315  0.8960  1
  F  F21  2  0.0116  0.0659  0.7635  1
  F  F22  2  0.1500  0.0623  0.9177  1
  F  F23  2  0.3639  0.1499  0.4267  1
  F  F24  2  0.4762  0.3097  0.2992  1
  F  F25  2  0.4827  0.0550  0.8213  1
  F  F26  2  0.5299  0.3518  0.4880  1
  F  F27  2  0.5330  0.0125  0.0102  1
  F  F28  2  0.6469  0.1466  0.3826  1
  F  F29  2  0.8574  0.0805  0.8781  1
  F  F30  2  0.9954  0.0769  0.0326  1
  F  F31  2  0.9984  0.1863  0.4002  1
]