data_PdPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   52.05
_cell_angle_beta   52.05
_cell_angle_gamma   52.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdPbO3
_chemical_formula_sum   'Pd2 Pb2 O6'
_cell_volume   141.62
_cell_formula_units_Z   2
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  Pd8  1  0.0  0.0  0.78  1.0
  Pd  Pd9  1  0.0  0.0  0.43  1.0
  Pb  Pb6  1  0.0  0.0  0.13  1.0
  Pb  Pb7  1  0.0  0.0  0.08  1.0
  O  O0  1  0.96  0.4  0.72  1.0
  O  O1  1  0.74  0.2  0.72  1.0
  O  O2  1  0.31  0.39  0.72  1.0
  O  O3  1  0.69  0.61  0.5  1.0
  O  O4  1  0.26  0.8  0.5  1.0
  O  O5  1  0.04  0.6  0.5  1.0

data_PdPbO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.27
_cell_angle_alpha   63.97
_cell_angle_beta   63.97
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PdPbO3
_chemical_formula_sum   'Pd2 Pb2 O6'
_cell_volume   141.62
_cell_formula_units_Z   2
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  2  0.0  0.17  0.33  1.0
  Pb  Pb1  2  0.0  0.48  0.02  1.0
  O  O2  2  0.2  0.11  0.45  1.0
  O  O3  2  0.39  0.11  0.69  1.0
  O  O4  2  0.4  0.11  0.03  1.0

Pd Pd Pb Pb O O O O O O