data_[Sn4H8I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7616]
_cell_length_b [12.2470]
_cell_length_c [7.8669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(HI)2]
_chemical_formula_sum '[Sn4 H8 I8]'
_cell_volume [693.7210]
_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  4  0.0000  0.1647  0.0000  1
  H  H1  4  0.1129  0.5000  0.7307  1
  H  H2  4  0.1645  0.5000  0.6664  1
  I  I3  8  0.2479  0.1777  0.7541  1
]