data_Se2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05
_cell_length_b   11.05
_cell_length_c   3.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   161.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Se2Br
_chemical_formula_sum   'Se4 Br2'
_cell_volume   150.02
_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
  Se  Se2  1  0.82  0.75  0.83  1.0
  Se  Se3  1  0.82  0.06  0.83  1.0
  Se  Se4  1  0.82  0.94  0.94  1.0
  Se  Se5  1  0.82  0.25  0.94  1.0
  Br  Br0  1  0.82  0.33  0.83  1.0
  Br  Br1  1  0.82  0.67  0.94  1.0

data_Se2Br
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.64
_cell_length_b   3.78
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   99.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Se2Br
_chemical_formula_sum   'Se4 Br2'
_cell_volume   150.02
_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
  Se  Se0  2  0.06  0.06  0.06  1.0
  Se  Se1  2  0.25  0.94  0.25  1.0
  Br  Br2  2  0.33  0.06  0.33  1.0

Se Se Se Se Br Br