data_[Sn1H1I2]
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 [P-1]
_cell_length_a [4.0206]
_cell_length_b [4.3464]
_cell_length_c [7.9331]
_cell_angle_alpha [83.5084]
_cell_angle_beta [85.4647]
_cell_angle_gamma [63.3352]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnHI2]
_chemical_formula_sum '[Sn1 H1 I2]'
_cell_volume [123.0307]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  H  H1  1  0.5000  0.0000  0.0000  1
  I  I2  2  0.3686  0.8747  0.7959  1
]