data_AlCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.6
_cell_angle_alpha   108.54
_cell_angle_beta   108.54
_cell_angle_gamma   33.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdRu2
_chemical_formula_sum   'Al1 Cd1 Ru2'
_cell_volume   62.18
_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  0.18  0.0  0.38  1.0
  Cd  Cd1  1  0.93  0.0  0.93  1.0
  Ru  Ru2  1  0.55  0.0  0.09  1.0
  Ru  Ru3  1  0.39  0.0  0.11  1.0

data_AlCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.6
_cell_length_c   5.09
_cell_angle_alpha   108.54
_cell_angle_beta   106.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCdRu2
_chemical_formula_sum   'Al1 Cd1 Ru2'
_cell_volume   62.18
_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  0.38  0.18  1.0
  Cd  Cd1  1  0.0  0.93  0.93  1.0
  Ru  Ru2  1  0.0  0.09  0.55  1.0
  Ru  Ru3  1  0.0  0.11  0.39  1.0

Al Cd Ru Ru
Al Cd Ru Ru 0 1 - o - 0 3 o o o 1 2 o o + 1 3 + o + 2 3 o o o 