[CIF]
data_B2Se6Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31225072
_cell_length_b   7.07726719
_cell_length_c   9.57923086
_cell_angle_alpha   97.30378285
_cell_angle_beta   98.55225182
_cell_angle_gamma   98.17758699
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2Se6Br
_chemical_formula_sum   'B2 Se6 Br1'
_cell_volume   217.26176351
_cell_formula_units_Z   1
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  0.83755231  4.65851105  7.27229440  1
  B  B1  1  0.04347574  0.91176511  2.09109397  1
  Br  Br2  1  0.00000000  0.00000000  0.00000000  1
  Se  Se3  1  0.76740113  2.66305329  7.67471804  1
  Se  Se4  1  0.11362693  2.90722287  1.68867033  1
  Se  Se5  1  -0.80822815  5.45610316  6.39289489  1
  Se  Se6  1  1.68925620  0.11417299  2.97049348  1
  Se  Se7  1  0.80382056  1.78431810  5.50728839  1
  Se  Se8  1  0.07720749  3.78595806  3.85609998  1
[/CIF]
