data_P2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   3.78
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   94.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2IrPd
_chemical_formula_sum   'P2 Ir1 Pd1'
_cell_volume   65.51
_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  P1  1  0.35  0.89  0.82  1.0
  P  P2  1  0.37  0.89  0.44  1.0
  Ir  Ir0  1  0.86  0.0  0.13  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_P2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.06
_cell_length_c   4.28
_cell_angle_alpha   94.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P2IrPd
_chemical_formula_sum   'P2 Ir1 Pd1'
_cell_volume   65.51
_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  0.11  0.63  0.56  1.0
  P  P1  1  0.11  0.65  0.18  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.14  0.87  1.0

P P Ir Pd