data_[S4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3977]
_cell_length_b [7.5546]
_cell_length_c [8.4963]
_cell_angle_alpha [75.4689]
_cell_angle_beta [89.7752]
_cell_angle_gamma [73.2431]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SBr]
_chemical_formula_sum '[S4 Br4]'
_cell_volume [320.2581]
_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
[
  S  S0  2  0.0074  0.4784  0.7484  1.0
  S  S1  2  0.1253  0.6917  0.7637  1.0
  Br  Br2  2  0.3248  0.1922  0.8577  1.0
  Br  Br3  2  0.3528  0.7772  0.5457  1.0
]