data_[H4S24Br8]
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 [C2/c]
_cell_length_a [15.5845]
_cell_length_b [9.3508]
_cell_length_c [9.4783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H(S3Br)2]
_chemical_formula_sum '[H4 S24 Br8]'
_cell_volume [1253.2820]
_cell_formula_units_Z [4]
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  0.0000  0.2907  0.7500  1
  S  S1  8  0.0075  0.2880  0.9274  1
  S  S2  8  0.0639  0.2706  0.2650  1
  S  S3  8  0.1267  0.3017  0.6184  1
  Br  Br4  8  0.1961  0.0800  0.6674  1
]