data_AlPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.74
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPdRu2
_chemical_formula_sum   'Al1 Pd1 Ru2'
_cell_volume   57.74
_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
  Al  Al0  1  0.74  0.0  0.82  1.0
  Pd  Pd1  1  0.34  0.87  0.05  1.0
  Ru  Ru2  1  1.0  0.0  0.16  1.0
  Ru  Ru3  1  0.38  0.87  0.28  1.0

data_AlPdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.74
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPdRu2
_chemical_formula_sum   'Al1 Pd1 Ru2'
_cell_volume   57.74
_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
  Al  Al0  1  0.74  0.0  0.82  1.0
  Pd  Pd1  1  0.34  0.87  0.05  1.0
  Ru  Ru2  1  0.38  0.87  0.28  1.0
  Ru  Ru3  1  1.0  0.0  0.16  1.0

Al Pd Ru Ru