data_CoPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   132.19
_cell_angle_beta   132.19
_cell_angle_gamma   69.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPdRu2
_chemical_formula_sum   'Co1 Pd1 Ru2'
_cell_volume   54.43
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.89  0.91  1.0
  Ru  Ru2  1  0.0  0.0  0.82  1.0
  Ru  Ru3  1  0.89  0.0  0.91  1.0

data_CoPdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   3.78
_cell_length_c   4.66
_cell_angle_alpha   113.91
_cell_angle_beta   113.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPdRu2
_chemical_formula_sum   'Co1 Pd1 Ru2'
_cell_volume   54.43
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.09  0.0  0.98  1.0
  Ru  Ru2  1  0.18  0.0  0.18  1.0
  Pd  Pd3  1  0.98  0.89  0.98  1.0

Co Pd Ru Ru