[CIF]
data_BAs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16234704
_cell_length_b   3.16234704
_cell_length_c   8.22147000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Br
_chemical_formula_sum   'B1 As2 Br1'
_cell_volume   82.21830759
_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
  As  As0  1  0.00000000  0.00000000  0.66920513  1
  As  As1  1  1.58117352  1.58117352  3.26911561  1
  B  B2  1  0.00000000  0.00000000  2.72212535  1
  Br  Br3  1  1.58117352  1.58117352  5.67175891  1
[/CIF]
