data_[Sn2H2I1Br1O2]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1181]
_cell_length_b [4.1181]
_cell_length_c [10.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sn2H2IBrO2]
_chemical_formula_sum '[Sn2 H2 I1 Br1 O2]'
_cell_volume [160.2325]
_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  0.0000  0.9804  1
  Sn  Sn1  1  0.6667  0.3333  0.4995  1
  H  H2  1  0.3333  0.6667  0.3494  1
  H  H3  1  0.3333  0.6667  0.8285  1
  I  I4  1  0.6667  0.3333  0.1904  1
  Br  Br5  1  0.0000  0.0000  0.6898  1
  O  O6  1  0.3333  0.6667  0.4396  1
  O  O7  1  0.3333  0.6667  0.9188  1
]