data_PPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPd
_chemical_formula_sum   'P2 Pd2'
_cell_volume   62.12
_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
  P  P0  1  0.7  0.56  0.88  1.0
  P  P1  1  0.7  0.44  0.65  1.0
  Pd  Pd2  1  0.7  0.13  0.88  1.0
  Pd  Pd3  1  0.7  0.87  0.65  1.0

data_PPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.39
_cell_length_b   3.53
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PPd
_chemical_formula_sum   'P2 Pd2'
_cell_volume   62.12
_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
  P  P0  2  0.44  0.12  0.44  1.0
  Pd  Pd1  2  0.13  0.88  0.13  1.0

P P Pd Pd