data_[Sn2I4O12F4]
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 [P2_1]
_cell_length_a [5.3874]
_cell_length_b [9.7890]
_cell_length_c [6.0942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SnI2(O3F)2]
_chemical_formula_sum '[Sn2 I4 O12 F4]'
_cell_volume [311.1367]
_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
[
  Sn  Sn0  2  0.1930  0.6284  0.2866  1
  I  I1  2  0.2005  0.0140  0.3549  1
  I  I2  2  0.4092  0.2516  0.0664  1
  O  O3  2  0.0553  0.4985  0.4895  1
  O  O4  2  0.1397  0.1972  0.2887  1
  O  O5  2  0.1425  0.2388  0.8052  1
  O  O6  2  0.3406  0.7679  0.1001  1
  O  O7  2  0.4627  0.0281  0.6195  1
  O  O8  2  0.4768  0.0693  0.1257  1
  F  F9  2  0.0942  0.4879  0.0391  1
  F  F10  2  0.2957  0.7670  0.5404  1
]