data_BPbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   142.83
_cell_angle_beta   142.83
_cell_angle_gamma   53.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BPbCl
_chemical_formula_sum   'B1 Pb1 Cl1'
_cell_volume   73.23
_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  0.19  1.0
  Pb  Pb2  1  0.0  0.0  1.0  1.0
  Cl  Cl1  1  0.0  0.0  0.29  1.0

data_BPbCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   116.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BPbCl
_chemical_formula_sum   'B2 Pb2 Cl2'
_cell_volume   146.46
_cell_formula_units_Z   2
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  2  0.19  0.0  0.19  1.0
  Pb  Pb1  2  0.5  0.5  1.0  1.0
  Cl  Cl2  2  0.29  0.0  0.29  1.0

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