data_Co2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   2.58
_cell_angle_alpha   100.66
_cell_angle_beta   100.66
_cell_angle_gamma   115.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdRu
_chemical_formula_sum   'Co2 Pd1 Ru1'
_cell_volume   53.45
_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  0.87  0.1  0.21  1.0
  Co  Co1  1  0.87  0.9  0.21  1.0
  Pd  Pd2  1  0.63  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Co2PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   115.88
_cell_angle_beta   100.66
_cell_angle_gamma   100.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdRu
_chemical_formula_sum   'Co2 Pd1 Ru1'
_cell_volume   53.45
_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  0.21  0.87  0.1  1.0
  Co  Co1  1  0.21  0.87  0.9  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.63  0.0  1.0

Co Co Pd Ru