data_BBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.18
_cell_angle_alpha   91.0
_cell_angle_beta   91.0
_cell_angle_gamma   30.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BBr
_chemical_formula_sum   'B2 Br2'
_cell_volume   116.35
_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
  B  B0  1  0.45  0.0  0.63  1.0
  B  B1  1  0.25  0.0  0.56  1.0
  Br  Br2  1  0.16  0.0  0.36  1.0
  Br  Br3  1  0.53  0.0  0.83  1.0

data_BBr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.19
_cell_length_b   6.11
_cell_length_c   6.18
_cell_angle_alpha   91.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.11
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BBr
_chemical_formula_sum   'B2 Br2'
_cell_volume   116.35
_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
  B  B0  2  0.0  0.4  0.97  1.0
  Br  Br1  2  0.0  0.31  0.77  1.0

B B Br Br