data_B2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.1
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   93.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2AsCl
_chemical_formula_sum   'B2 As1 Cl1'
_cell_volume   71.02
_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  B1  1  0.64  0.0  0.57  1.0
  B  B2  1  0.41  0.55  0.25  1.0
  As  As0  1  0.12  0.55  0.77  1.0
  Cl  Cl3  1  0.17  0.0  0.87  1.0

data_B2AsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.48
_cell_length_c   6.6
_cell_angle_alpha   93.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2AsCl
_chemical_formula_sum   'B2 As1 Cl1'
_cell_volume   71.02
_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  0.36  0.43  1.0
  B  B1  1  0.45  0.59  0.75  1.0
  As  As2  1  0.45  0.88  0.23  1.0
  Cl  Cl3  1  0.0  0.83  0.13  1.0

B B As Cl