data_Y2AlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   147.89
_cell_angle_beta   133.13
_cell_angle_gamma   57.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlRu
_chemical_formula_sum   'Y2 Al1 Ru1'
_cell_volume   89.6
_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
  Y  Y2  1  0.0  0.0  0.43  1.0
  Y  Y3  1  0.0  0.45  0.68  1.0
  Al  Al0  1  0.0  0.0  0.78  1.0
  Ru  Ru1  1  0.7  0.0  0.88  1.0

data_Y2AlRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.89
_cell_length_c   6.15
_cell_angle_alpha   113.43
_cell_angle_beta   106.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlRu
_chemical_formula_sum   'Y2 Al1 Ru1'
_cell_volume   89.6
_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
  Y  Y0  1  0.32  0.77  0.77  1.0
  Y  Y1  1  0.57  0.57  0.57  1.0
  Al  Al2  1  0.22  0.22  0.22  1.0
  Ru  Ru3  1  0.82  0.12  0.82  1.0

Y Y Al Ru
Y2RuAl crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to two equivalent Y(2), two equivalent Ru(1), and two equivalent Al(1) atoms. There is one shorter (1.65 Å) and one longer (2.49 Å) Y(1)-Y(2) bond length. There is one shorter (2.49 Å) and one longer (3.15 Å) Y(1)-Ru(1) bond length. There is one shorter (2.16 Å) and one longer (3.49 Å) Y(1)-Al(1) bond length. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to two equivalent Y(1) and two equivalent Ru(1) atoms. There is one shorter (2.28 Å) and one longer (2.42 Å) Y(2)-Ru(1) bond length. Ru(1) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Y(2), and one Al(1) atom. The Ru(1)-Al(1) bond length is 2.32 Å. Al(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Y(1) and one Ru(1) atom.