data_[Sn2H2Br5]
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 [P-1]
_cell_length_a [5.1402]
_cell_length_b [7.2449]
_cell_length_c [9.0039]
_cell_angle_alpha [98.9386]
_cell_angle_beta [92.7046]
_cell_angle_gamma [98.6929]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn2H2Br5]
_chemical_formula_sum '[Sn2 H2 Br5]'
_cell_volume [326.5653]
_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  2  0.0824  0.4115  0.1495  1
  H  H1  2  0.1361  0.9062  0.2038  1
  Br  Br2  2  0.2218  0.8182  0.3324  1
  Br  Br3  2  0.3814  0.6373  0.7216  1
  Br  Br4  1  0.0000  0.0000  0.0000  1
]