data_ZrAl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   120.75
_cell_angle_beta   120.75
_cell_angle_gamma   88.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Ru
_chemical_formula_sum   'Zr1 Al2 Ru1'
_cell_volume   64.54
_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
  Zr  Zr3  1  0.0  0.0  0.23  1.0
  Al  Al0  1  0.0  0.23  0.62  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.23  0.0  0.62  1.0

data_ZrAl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.52
_cell_angle_alpha   119.62
_cell_angle_beta   119.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl2Ru
_chemical_formula_sum   'Zr1 Al2 Ru1'
_cell_volume   64.54
_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
  Zr  Zr0  1  0.77  0.0  0.77  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.62  0.23  0.62  1.0
  Ru  Ru3  1  0.38  0.0  0.62  1.0

Zr Al Al Ru
ZrRuAl2 is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrRuAl2 cluster. Zr(1) is bonded in a 3-coordinate geometry to one Ru(1), one Al(1), and one Al(2) atom. The Zr(1)-Ru(1) bond length is 1.50 Å. The Zr(1)-Al(1) bond length is 1.50 Å. The Zr(1)-Al(2) bond length is 1.05 Å. Ru(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Al(1) atom. The Ru(1)-Al(1) bond length is 1.48 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Ru(1) atom. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one Zr(1) atom.