data_[H6S2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/m]
_cell_length_a [6.7012]
_cell_length_b [7.5955]
_cell_length_c [8.4945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [H3SBr3]
_chemical_formula_sum '[H6 S2 Br6]'
_cell_volume [407.6099]
_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
[
  H  H0  2  0.0753  0.2500  0.6953  1.0
  H  H1  2  0.4208  0.7500  0.9836  1.0
  H  H2  2  0.4603  0.2500  0.1969  1.0
  S  S3  2  0.3441  0.7500  0.8150  1.0
  Br  Br4  2  0.0007  0.7500  0.1577  1.0
  Br  Br5  2  0.1907  0.2500  0.4872  1.0
  Br  Br6  2  0.4392  0.7500  0.3506  1.0
]