data_[As2I2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.6172]
_cell_length_b [11.5614]
_cell_length_c [6.0957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [AsIF3]
_chemical_formula_sum '[As2 I2 F6]'
_cell_volume [245.2871]
_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  0.7755  0.3388  0.1226  1.0
  I  I1  2  0.7613  0.0000  0.0472  1.0
  F  F2  2  0.1514  0.2922  0.4867  1.0
  F  F3  2  0.4023  0.2978  0.1202  1.0
  F  F4  2  0.7909  0.4834  0.2270  1.0
]