data_IrPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   151.59
_cell_angle_beta   130.88
_cell_angle_gamma   57.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPdRu2
_chemical_formula_sum   'Ir1 Pd1 Ru2'
_cell_volume   60.29
_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
  Ir  Ir0  1  0.36  0.0  0.62  1.0
  Pd  Pd1  1  0.0  0.0  0.26  1.0
  Ru  Ru2  1  0.36  0.0  0.25  1.0
  Ru  Ru3  1  0.0  0.0  0.39  1.0

data_IrPdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.59
_cell_length_c   5.53
_cell_angle_alpha   114.56
_cell_angle_beta   104.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPdRu2
_chemical_formula_sum   'Ir1 Pd1 Ru2'
_cell_volume   60.29
_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
  Ru  Ru0  1  0.0  0.25  0.89  1.0
  Pd  Pd1  1  0.0  0.26  0.26  1.0
  Ru  Ru2  1  0.0  0.39  0.39  1.0
  Ir  Ir3  1  0.0  0.62  0.26  1.0

Ir Pd Ru Ru