data_Na2PbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2PbCl
_chemical_formula_sum   'Na2 Pb1 Cl1'
_cell_volume   106.22
_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
  Na  Na1  1  0.65  0.25  0.79  1.0
  Na  Na2  1  0.65  0.75  0.79  1.0
  Pb  Pb3  1  0.29  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Na2PbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   107.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2PbCl
_chemical_formula_sum   'Na2 Pb1 Cl1'
_cell_volume   106.22
_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
  Na  Na0  1  0.79  0.65  0.25  1.0
  Na  Na1  1  0.79  0.65  0.75  1.0
  Pb  Pb2  1  -0.0  0.29  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Na Na Pb Cl
Na Na Pb Cl 0 2 o o + 1 3 + + + 2 3 o o o 