data_PPdPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   147.41
_cell_angle_beta   131.31
_cell_angle_gamma   59.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPdPb2
_chemical_formula_sum   'P1 Pd1 Pb2'
_cell_volume   93.35
_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
  P  P0  1  0.0  0.0  0.46  1.0
  Pd  Pd3  1  0.0  0.54  0.5  1.0
  Pb  Pb1  1  0.0  0.54  0.15  1.0
  Pb  Pb2  1  0.0  0.0  0.88  1.0

data_PPdPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.07
_cell_length_c   6.15
_cell_angle_alpha   114.34
_cell_angle_beta   106.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPdPb2
_chemical_formula_sum   'P1 Pd1 Pb2'
_cell_volume   93.35
_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
  P  P0  1  0.0  0.46  0.46  1.0
  Pd  Pd1  1  0.46  0.97  0.97  1.0
  Pb  Pb2  1  0.0  0.88  0.88  1.0
  Pb  Pb3  1  0.46  0.61  0.61  1.0

P Pd Pb Pb