data_B2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   146.23
_cell_angle_beta   146.23
_cell_angle_gamma   48.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2Cl
_chemical_formula_sum   'B4 Cl2'
_cell_volume   63.6
_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  B0  1  0.59  0.13  0.0  1.0
  B  B1  1  0.13  0.59  0.39  1.0
  B  B2  1  0.31  0.59  0.0  1.0
  B  B3  1  0.41  0.13  0.39  1.0
  Cl  Cl4  1  0.0  0.0  0.09  1.0
  Cl  Cl5  1  0.0  0.0  0.7  1.0

data_B2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   5.91
_cell_angle_alpha   106.88
_cell_angle_beta   106.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2Cl
_chemical_formula_sum   'B4 Cl2'
_cell_volume   63.6
_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  B0  1  0.13  0.13  0.72  1.0
  B  B1  1  0.2  0.59  0.33  1.0
  B  B2  1  0.59  0.59  0.89  1.0
  B  B3  1  0.74  0.13  0.15  1.0
  Cl  Cl4  1  0.3  0.0  0.3  1.0
  Cl  Cl5  1  0.91  0.0  0.91  1.0

B B B B Cl Cl