data_SBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.09
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   106.75
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SBr
_chemical_formula_sum   'S4 Br4'
_cell_volume   263.69
_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  S4  1  0.45  0.73  0.71  1.0
  S  S5  1  0.68  0.73  0.07  1.0
  S  S6  1  0.41  0.27  0.07  1.0
  S  S7  1  0.63  0.27  0.71  1.0
  Br  Br0  1  0.78  0.86  0.62  1.0
  Br  Br1  1  0.35  0.41  0.62  1.0
  Br  Br2  1  0.74  0.59  0.62  1.0
  Br  Br3  1  0.3  0.14  0.62  1.0

data_SBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   14.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SBr
_chemical_formula_sum   'S4 Br4'
_cell_volume   263.69
_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  1  0.27  0.07  0.41  1.0
  S  S1  1  0.27  0.71  0.63  1.0
  S  S2  1  0.73  0.07  0.68  1.0
  S  S3  1  0.73  0.71  0.45  1.0
  Br  Br4  1  0.14  0.62  0.3  1.0
  Br  Br5  1  0.41  0.62  0.35  1.0
  Br  Br6  1  0.59  0.62  0.74  1.0
  Br  Br7  1  0.86  0.62  0.78  1.0

S S S S Br Br Br Br