data_Cr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ru
_chemical_formula_sum   'Cr4 Ru2'
_cell_volume   76.67
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.0  0.0  0.52  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.0  0.42  0.26  1.0
  Cr  Cr3  1  0.1  0.21  0.78  1.0
  Ru  Ru4  1  0.0  0.42  0.78  1.0
  Ru  Ru5  1  0.1  0.21  0.26  1.0

data_Cr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Ru
_chemical_formula_sum   'Cr4 Ru2'
_cell_volume   76.67
_cell_formula_units_Z   2
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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.52  1.0
  Cr  Cr2  1  0.0  0.42  0.26  1.0
  Cr  Cr3  1  0.1  0.21  0.78  1.0
  Ru  Ru4  1  0.0  0.42  0.78  1.0
  Ru  Ru5  1  0.1  0.21  0.26  1.0

Cr Cr Cr Cr Ru Ru
Cr Cr Cr Cr Ru Ru 0 5 o o o 0 3 o o o 1 3 o o - 1 5 o o o 2 5 o o o 3 4 o o o 
Cr2Ru crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cr3Ru cluster and one CrRu cluster. In the Cr3Ru cluster, there are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Ru(2) atom. The Cr(1)-Ru(2) bond length is 1.51 Å. In the second Cr site, Cr(2) is bonded in a 1-coordinate geometry to one Ru(2) atom. The Cr(2)-Ru(2) bond length is 1.51 Å. In the third Cr site, Cr(3) is bonded in a single-bond geometry to one Ru(2) atom. The Cr(3)-Ru(2) bond length is 1.14 Å. Ru(2) is bonded in a trigonal non-coplanar geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the CrRu cluster, Cr(4) is bonded in a distorted single-bond geometry to one Ru(1) atom. The Cr(4)-Ru(1) bond length is 1.14 Å. Ru(1) is bonded in a single-bond geometry to one Cr(4) atom.