data_[S1Br4]
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 [5.7665]
_cell_length_b [6.8487]
_cell_length_c [18.2198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [103.0424]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SBr4]
_chemical_formula_sum '[S1 Br4]'
_cell_volume [700.9943]
_cell_formula_units_Z [1]
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  0.1350  0.0796  0.5214  1
  Br  Br1  1  0.1650  0.8777  0.4300  1
  Br  Br2  1  0.4780  0.4246  0.4570  1
  Br  Br3  1  0.8135  0.2515  0.4850  1
  Br  Br4  1  0.9313  0.8709  0.6067  1
]