data_[Sn2I2O12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0030]
_cell_length_b [9.7483]
_cell_length_c [4.9763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnIO6]
_chemical_formula_sum '[Sn2 I2 O12]'
_cell_volume [234.7447]
_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  0.0000  0.0000  0.0000  1
  I  I1  2  0.0000  0.5000  0.5000  1
  O  O2  8  0.2258  0.6343  0.7320  1
  O  O3  4  0.2416  0.5000  0.2678  1
]