data_P2PdPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   146.41
_cell_angle_beta   119.3
_cell_angle_gamma   71.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PdPb
_chemical_formula_sum   'P2 Pd1 Pb1'
_cell_volume   80.69
_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  0.8  0.43  1.0
  P  P1  1  0.0  0.0  0.39  1.0
  Pd  Pd3  1  0.0  0.0  0.77  1.0
  Pb  Pb2  1  0.6  0.0  0.42  1.0

data_P2PdPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   60.7
_cell_angle_beta   73.21
_cell_angle_gamma   73.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2PdPb
_chemical_formula_sum   'P2 Pd1 Pb1'
_cell_volume   80.69
_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  0.39  -0.0  0.61  1.0
  P  P1  1  0.43  -0.0  0.37  1.0
  Pd  Pd2  1  0.77  0.0  0.23  1.0
  Pb  Pb3  1  0.82  0.6  0.58  1.0

P P Pd Pb