data_BiPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   5.74
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPb2Cl
_chemical_formula_sum   'Bi1 Pb2 Cl1'
_cell_volume   128.76
_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
  Bi  Bi0  1  0.73  0.87  0.59  1.0
  Pb  Pb2  1  0.73  0.87  0.81  1.0
  Pb  Pb3  1  0.0  0.0  0.11  1.0
  Cl  Cl1  1  0.0  0.0  0.7  1.0

data_BiPb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.74
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPb2Cl
_chemical_formula_sum   'Bi1 Pb2 Cl1'
_cell_volume   128.76
_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
  Bi  Bi0  1  0.73  0.87  0.59  1.0
  Pb  Pb1  1  0.0  0.0  0.11  1.0
  Pb  Pb2  1  0.73  0.87  0.81  1.0
  Cl  Cl3  1  0.0  0.0  0.7  1.0

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