data_KCr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.3
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Ru
_chemical_formula_sum   'K1 Cr2 Ru1'
_cell_volume   72.77
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.77  0.15  0.98  1.0
  Cr  Cr1  1  0.9  0.15  0.19  1.0
  Ru  Ru3  1  0.83  0.0  0.09  1.0

data_KCr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.3
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Ru
_chemical_formula_sum   'K1 Cr2 Ru1'
_cell_volume   72.77
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.77  0.15  0.98  1.0
  Cr  Cr2  1  0.9  0.15  0.19  1.0
  Ru  Ru3  1  0.83  0.0  0.09  1.0

K Cr Cr Ru
KCr2Ru crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KCr2Ru cluster. K(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Ru(1) atom. The K(1)-Cr(1) bond length is 0.90 Å. The K(1)-Ru(1) bond length is 0.77 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to one K(1) and one Ru(1) atom. The Cr(1)-Ru(1) bond length is 0.91 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Ru(1) atom. The Cr(2)-Ru(1) bond length is 0.91 Å. Ru(1) is bonded in a 3-coordinate geometry to one K(1), one Cr(1), and one Cr(2) atom.