data_SBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95
_cell_length_b   8.95
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SBr3
_chemical_formula_sum   'S2 Br6'
_cell_volume   236.88
_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  S6  1  0.0  0.17  0.85  1.0
  S  S7  1  0.48  0.58  0.56  1.0
  Br  Br0  1  0.0  0.16  0.56  1.0
  Br  Br1  1  0.74  0.17  0.56  1.0
  Br  Br2  1  0.26  0.17  0.56  1.0
  Br  Br3  1  0.48  0.6  0.85  1.0
  Br  Br4  1  0.73  0.58  0.85  1.0
  Br  Br5  1  0.22  0.58  0.85  1.0

data_SBr3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.41
_cell_length_b   8.95
_cell_length_c   8.95
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SBr3
_chemical_formula_sum   'S2 Br6'
_cell_volume   236.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.35  0.24  0.21  1.0
  Br  Br1  2  0.35  0.02  0.8  1.0
  Br  Br2  2  0.35  0.51  0.8  1.0
  Br  Br3  2  0.35  0.76  0.78  1.0

S S Br Br Br Br Br Br