data_BAs2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   3.41
_cell_length_c   6.79
_cell_angle_alpha   90.0
_cell_angle_beta   102.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Br
_chemical_formula_sum   'B1 As2 Br1'
_cell_volume   97.79
_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  B2  1  0.77  0.0  0.53  1.0
  As  As0  1  0.66  0.0  0.81  1.0
  As  As1  1  0.83  0.7  0.22  1.0
  Br  Br3  1  0.84  0.7  0.05  1.0

data_BAs2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.32
_cell_length_c   6.79
_cell_angle_alpha   102.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs2Br
_chemical_formula_sum   'B1 As2 Br1'
_cell_volume   97.79
_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  0.0  0.23  0.47  1.0
  As  As1  1  0.0  0.34  0.19  1.0
  As  As2  1  0.3  0.17  0.78  1.0
  Br  Br3  1  0.3  0.16  0.95  1.0

B As As Br