data_[Sn8I4O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [5.8244]
_cell_length_b [13.4692]
_cell_length_c [5.8800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [Sn2IOF]
_chemical_formula_sum '[Sn8 I4 O4 F4]'
_cell_volume [461.2883]
_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
[
  Sn  Sn0  8  0.0000  0.0920  0.7849  1.0
  I  I1  4  0.0000  0.2500  0.2409  1.0
  O  O2  4  0.2500  0.0000  0.0000  1.0
  F  F3  4  0.2500  0.0000  0.5000  1.0
]