data_BAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAs
_chemical_formula_sum   'B2 As2'
_cell_volume   70.63
_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  B2  1  0.66  0.66  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.66  0.0  0.4  1.0
  As  As1  1  0.0  0.66  0.99  1.0

data_BAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BAs
_chemical_formula_sum   'B4 As4'
_cell_volume   141.27
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.33  0.33  0.0  1.0
  As  As1  2  0.0  0.0  0.99  1.0
  As  As2  2  0.16  0.5  0.4  1.0

B B As As
B B As As 0 3 + o - 0 2 o + o 0 2 o o o 1 3 o - - 1 2 o o o 1 2 - o o 2 3 o - - 2 3 + - - 2 3 + o - 2 2 + o o 2 2 o + o 