data_BAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   148.63
_cell_angle_beta   148.63
_cell_angle_gamma   44.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAsCl2
_chemical_formula_sum   'B1 As1 Cl2'
_cell_volume   84.24
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.83  0.13  1.0
  Cl  Cl2  1  0.83  0.0  0.13  1.0
  Cl  Cl3  1  0.0  0.0  0.27  1.0

data_BAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   6.78
_cell_angle_alpha   105.69
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BAsCl2
_chemical_formula_sum   'B1 As1 Cl2'
_cell_volume   84.24
_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  0.0  0.0  1.0
  As  As1  1  0.3  0.13  0.3  1.0
  Cl  Cl2  1  0.13  0.3  0.3  1.0
  Cl  Cl3  1  0.27  0.27  0.27  1.0

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