data_PPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   2.81
_cell_angle_alpha   99.48
_cell_angle_beta   99.48
_cell_angle_gamma   119.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPd2Ru
_chemical_formula_sum   'P1 Pd2 Ru1'
_cell_volume   58.93
_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  0.0  1.0
  Pd  Pd1  1  0.82  0.18  0.33  1.0
  Pd  Pd2  1  0.82  0.82  0.33  1.0
  Ru  Ru3  1  0.55  0.0  0.0  1.0

data_PPd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.95
_cell_length_c   5.05
_cell_angle_alpha   115.2
_cell_angle_beta   99.48
_cell_angle_gamma   103.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPd2Ru
_chemical_formula_sum   'P1 Pd2 Ru1'
_cell_volume   58.93
_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  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.55  1.0
  Pd  Pd2  1  0.15  0.82  0.64  1.0
  Pd  Pd3  1  0.51  0.18  0.99  1.0

P Pd Pd Ru
P Pd Pd Ru 0 2 - - - 0 2 - - o 0 1 - o o 1 3 o o o 1 2 o - o 