data_PdPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPb2Cl
_chemical_formula_sum   'Pd1 Pb2 Cl1'
_cell_volume   97.53
_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
  Pd  Pd3  1  0.0  0.0  0.04  1.0
  Pb  Pb1  1  0.41  0.0  0.25  1.0
  Pb  Pb2  1  0.41  0.0  0.82  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_PdPb2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   PdPb2Cl
_chemical_formula_sum   'Pd1 Pb2 Cl1'
_cell_volume   97.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Pd  Pd0  1  0.0  0.0  0.04  1.0
  Pb  Pb1  1  0.41  0.0  0.25  1.0
  Pb  Pb2  1  0.41  0.0  0.82  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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