data_AlCd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.82
_cell_length_b   9.82
_cell_length_c   9.82
_cell_angle_alpha   17.27
_cell_angle_beta   17.27
_cell_angle_gamma   17.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCd2Ru
_chemical_formula_sum   'Al1 Cd2 Ru1'
_cell_volume   72.84
_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
  Cd  Cd1  1  0.0  0.0  0.13  1.0
  Cd  Cd2  1  0.0  0.0  0.88  1.0
  Ru  Ru3  1  0.0  0.0  0.51  1.0

data_AlCd2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   9.82
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCd2Ru
_chemical_formula_sum   'Al2 Cd4 Ru2'
_cell_volume   145.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.12  1.0
  Cd  Cd2  2  0.0  0.0  0.87  1.0
  Ru  Ru3  2  0.0  0.0  0.49  1.0

Al Cd Cd Ru
Al Cd Cd Ru 0 2 o o - 0 1 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
RuCd2Al crystallizes in the monoclinic Cm space group. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to six Ru(1,1); one Cd(1); and one Cd(2) atom to form a mixture of distorted edge and corner-sharing RuCd2Ru6 hexagonal bipyramids. All Ru(1)-Ru(1,1) bond lengths are 2.95 Å. The Ru(1)-Cd(1) bond length is 3.68 Å. The Ru(1)-Cd(2) bond length is 3.68 Å. In the second Ru site, Ru(1) is bonded to six Ru(1,1); one Cd(1); and one Cd(2) atom to form a mixture of distorted edge and corner-sharing RuCd2Ru6 hexagonal bipyramids. Both Ru(1)-Ru(1) bond lengths are 2.95 Å. The Ru(1)-Cd(1) bond length is 3.68 Å. The Ru(1)-Cd(2) bond length is 3.68 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Ru(1) and one Al(1) atom. The Cd(1)-Al(1) bond length is 1.31 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Ru(1) and one Al(1) atom. The Cd(2)-Al(1) bond length is 1.16 Å. Al(1) is bonded in a linear geometry to one Cd(1) and one Cd(2) atom.