data_[H8S2Br4]
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 [Cm]
_cell_length_a [8.9336]
_cell_length_b [7.6638]
_cell_length_c [5.9139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [H4SBr2]
_chemical_formula_sum '[H8 S2 Br4]'
_cell_volume [326.5536]
_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  4  0.0428  0.1311  0.9105  1.0
  H  H1  2  0.0557  0.5000  0.6302  1.0
  H  H2  2  0.2259  0.0000  0.2690  1.0
  S  S3  2  0.0376  0.0000  0.0752  1.0
  Br  Br4  4  0.0476  0.2775  0.6023  1.0
]