data_[As2S2F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7462]
_cell_length_b [6.8526]
_cell_length_c [6.8641]
_cell_angle_alpha [114.1570]
_cell_angle_beta [93.4925]
_cell_angle_gamma [119.4180]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AsSF3]
_chemical_formula_sum '[As2 S2 F6]'
_cell_volume [238.1141]
_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  0.1180  0.7657  0.8405  1.0
  S  S1  2  0.3892  0.3382  0.4905  1.0
  F  F2  2  0.0601  0.2278  0.9802  1.0
  F  F3  2  0.0608  0.5778  0.3320  1.0
  F  F4  2  0.3303  0.7777  0.0190  1.0
]