data_CdMo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   145.64
_cell_angle_beta   131.23
_cell_angle_gamma   61.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMo2Ru
_chemical_formula_sum   'Cd1 Mo2 Ru1'
_cell_volume   65.08
_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
  Cd  Cd0  1  0.0  0.0  0.63  1.0
  Mo  Mo1  1  0.59  0.0  0.19  1.0
  Mo  Mo2  1  0.0  0.22  0.44  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_CdMo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.43
_cell_length_c   5.37
_cell_angle_alpha   114.39
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMo2Ru
_chemical_formula_sum   'Cd1 Mo2 Ru1'
_cell_volume   65.08
_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
  Cd  Cd0  1  0.0  0.63  0.63  1.0
  Mo  Mo1  1  0.0  0.19  0.6  1.0
  Mo  Mo2  1  0.78  0.22  0.22  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Cd Mo Mo Ru
Cd Mo Mo Ru 0 2 o o o 0 1 - o o 0 3 o o + 1 2 + o o 2 3 o o o 
Mo2RuCd crystallizes in the triclinic P1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 1-coordinate geometry to one Mo(2) and two equivalent Cd(1) atoms. The Mo(1)-Mo(2) bond length is 2.02 Å. There is one shorter (1.90 Å) and one longer (2.55 Å) Mo(1)-Cd(1) bond length. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one Mo(1), two equivalent Ru(1), and one Cd(1) atom. There is one shorter (1.54 Å) and one longer (2.42 Å) Mo(2)-Ru(1) bond length. The Mo(2)-Cd(1) bond length is 2.07 Å. Ru(1) is bonded in a 2-coordinate geometry to two equivalent Mo(2) and one Cd(1) atom. The Ru(1)-Cd(1) bond length is 2.01 Å. Cd(1) is bonded in a 4-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Ru(1) atom.