data_Y2FeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   121.29
_cell_angle_beta   119.48
_cell_angle_gamma   89.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeRu
_chemical_formula_sum   'Y2 Fe1 Ru1'
_cell_volume   77.77
_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
  Y  Y2  1  0.0  0.42  0.71  1.0
  Y  Y3  1  0.35  0.0  0.7  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.41  1.0

data_Y2FeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.52
_cell_angle_beta   60.65
_cell_angle_gamma   60.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeRu
_chemical_formula_sum   'Y2 Fe1 Ru1'
_cell_volume   77.77
_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
  Y  Y0  1  0.0  0.65  0.7  1.0
  Y  Y1  1  0.42  -0.0  0.29  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.41  1.0

Y Y Fe Ru
Y2RuFe crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Ru(1) and one Fe(1) atom. The Y(1)-Ru(1) bond length is 1.76 Å. The Y(1)-Fe(1) bond length is 2.38 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Ru(1) and two equivalent Fe(1) atoms. The Y(2)-Ru(1) bond length is 1.58 Å. There is one shorter (2.69 Å) and one longer (2.70 Å) Y(2)-Fe(1) bond length. Ru(1) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Fe(1) atom. The Ru(1)-Fe(1) bond length is 1.99 Å. Fe(1) is bonded in a 4-coordinate geometry to one Y(1), two equivalent Y(2), and one Ru(1) atom.