data_[S2Br2]
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 [P1]
_cell_length_a [4.8075]
_cell_length_b [5.1924]
_cell_length_c [7.3182]
_cell_angle_alpha [88.8668]
_cell_angle_beta [72.5918]
_cell_angle_gamma [71.0575]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SBr]
_chemical_formula_sum '[S2 Br2]'
_cell_volume [164.2657]
_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
[
  S  S0  1  0.1671  0.4985  0.4675  1.0
  S  S1  1  0.1930  0.6290  0.7044  1.0
  Br  Br2  1  0.3936  0.7066  0.2158  1.0
  Br  Br3  1  0.7794  0.0150  0.8443  1.0
]