data_AlPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   144.45
_cell_angle_beta   129.64
_cell_angle_gamma   63.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Ru
_chemical_formula_sum   'Al1 Pd2 Ru1'
_cell_volume   58.9
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.17  0.33  1.0
  Pd  Pd2  1  0.56  0.0  0.02  1.0
  Ru  Ru3  1  0.0  0.0  0.35  1.0

data_AlPd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.34
_cell_length_c   5.11
_cell_angle_alpha   115.18
_cell_angle_beta   107.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlPd2Ru
_chemical_formula_sum   'Al1 Pd2 Ru1'
_cell_volume   58.9
_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  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.02  0.46  1.0
  Ru  Ru2  1  0.0  0.35  0.35  1.0
  Pd  Pd3  1  0.83  0.16  0.16  1.0

Al Pd Pd Ru