data_SbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.45
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbBr
_chemical_formula_sum   'Sb2 Br2'
_cell_volume   149.45
_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
  Sb  Sb2  1  0.0  0.0  0.02  1.0
  Sb  Sb3  1  0.16  0.22  0.74  1.0
  Br  Br0  1  0.0  0.0  0.22  1.0
  Br  Br1  1  0.16  0.22  0.54  1.0

data_SbBr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.33
_cell_length_b   4.45
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SbBr
_chemical_formula_sum   'Sb2 Br2'
_cell_volume   149.45
_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
  Sb  Sb0  2  0.08  0.11  0.36  1.0
  Br  Br1  2  0.08  0.11  0.16  1.0

Sb Sb Br Br
Sb Sb Br Br 0 2 o o o 1 3 o o o 