data_[Sn2H12Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6066]
_cell_length_b [5.2124]
_cell_length_c [5.6304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnH6Br]
_chemical_formula_sum '[Sn2 H12 Br2]'
_cell_volume [193.8869]
_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  0.5000  0.5000  1
  H  H1  8  0.0051  0.2439  0.2539  1
  H  H2  4  0.2342  0.0000  0.4890  1
  Br  Br3  2  0.0000  0.0000  0.0000  1
]