data_B2PbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.6
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PbCl
_chemical_formula_sum   'B2 Pb1 Cl1'
_cell_volume   73.45
_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
  B  B1  1  0.79  0.0  0.85  1.0
  Pb  Pb3  1  0.0  0.8  0.85  1.0
  Cl  Cl2  1  0.79  0.8  0.0  1.0

data_B2PbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.6
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B2PbCl
_chemical_formula_sum   'B2 Pb1 Cl1'
_cell_volume   73.45
_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
  B  B1  1  0.79  0.0  0.85  1.0
  Pb  Pb2  1  0.0  0.8  0.85  1.0
  Cl  Cl3  1  0.79  0.8  0.0  1.0

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