data_CdFe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   132.0
_cell_angle_beta   132.0
_cell_angle_gamma   70.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Ru
_chemical_formula_sum   'Cd1 Fe2 Ru1'
_cell_volume   58.6
_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  0.94  0.95  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.94  0.0  0.95  1.0
  Ru  Ru3  1  0.0  0.0  0.9  1.0

data_CdFe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.77
_cell_angle_alpha   114.0
_cell_angle_beta   114.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Ru
_chemical_formula_sum   'Cd1 Fe2 Ru1'
_cell_volume   58.6
_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  0.01  0.95  0.01  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.95  0.01  0.01  1.0
  Ru  Ru3  1  0.9  0.9  0.9  1.0

Cd Fe Fe Ru
Cd Fe Fe Ru 0 1 o + + 0 3 o + o 1 2 - o - 1 3 o o - 2 3 + o o 
RuFe2Cd is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one RuFe2Cd cluster. Ru(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Cd(1) atom. The Ru(1)-Fe(1) bond length is 0.48 Å. The Ru(1)-Fe(2) bond length is 0.49 Å. The Ru(1)-Cd(1) bond length is 0.49 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Ru(1), one Fe(2), and one Cd(1) atom. The Fe(1)-Fe(2) bond length is 0.22 Å. The Fe(1)-Cd(1) bond length is 0.22 Å. In the second Fe site, Fe(2) is bonded in a 3-coordinate geometry to one Ru(1), one Fe(1), and one Cd(1) atom. The Fe(2)-Cd(1) bond length is 0.34 Å. Cd(1) is bonded in a distorted single-bond geometry to one Ru(1), one Fe(1), and one Fe(2) atom.