data_[Sn2H6S2Br6]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.1657]
_cell_length_b [8.2623]
_cell_length_c [8.6676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [SnH3SBr3]
_chemical_formula_sum '[Sn2 H6 S2 Br6]'
_cell_volume [440.9388]
_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  0.0363  0.2715  0.5014  1.0
  H  H1  2  0.2684  0.1130  0.1205  1.0
  H  H2  2  0.5413  0.2170  0.2062  1.0
  H  H3  2  0.5502  0.0516  0.0328  1.0
  S  S4  2  0.4466  0.1973  0.0579  1.0
  Br  Br5  2  0.0242  0.4645  0.1916  1.0
  Br  Br6  2  0.0572  0.0324  0.7439  1.0
  Br  Br7  2  0.5843  0.2332  0.4737  1.0
]