data_YZrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   4.55
_cell_angle_alpha   113.16
_cell_angle_beta   113.16
_cell_angle_gamma   34.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrRu2
_chemical_formula_sum   'Y1 Zr1 Ru2'
_cell_volume   75.32
_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
  Y  Y2  1  0.45  0.0  0.03  1.0
  Zr  Zr3  1  0.43  0.0  0.19  1.0
  Ru  Ru0  1  0.15  0.0  0.12  1.0
  Ru  Ru1  1  0.57  0.0  0.03  1.0

data_YZrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.55
_cell_length_c   5.68
_cell_angle_alpha   113.16
_cell_angle_beta   107.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrRu2
_chemical_formula_sum   'Y1 Zr1 Ru2'
_cell_volume   75.32
_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
  Y  Y0  1  0.0  0.03  0.45  1.0
  Zr  Zr1  1  0.0  0.19  0.43  1.0
  Ru  Ru2  1  0.0  0.03  0.57  1.0
  Ru  Ru3  1  0.0  0.12  0.15  1.0

Y Zr Ru Ru
YZrRu2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YZrRu2 cluster. Y(1) is bonded in a bent 120 degrees geometry to one Zr(1) and one Ru(2) atom. The Y(1)-Zr(1) bond length is 0.74 Å. The Y(1)-Ru(2) bond length is 0.71 Å. Zr(1) is bonded in a distorted water-like geometry to one Y(1) and one Ru(1) atom. The Zr(1)-Ru(1) bond length is 1.50 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Y(1) atom.