data_YRu2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2Pb
_chemical_formula_sum   'Y1 Ru2 Pb1'
_cell_volume   72.65
_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  Y3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.13  0.0  0.14  1.0
  Ru  Ru2  1  0.13  0.0  0.93  1.0
  Pb  Pb0  1  0.0  0.0  0.53  1.0

data_YRu2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YRu2Pb
_chemical_formula_sum   'Y1 Ru2 Pb1'
_cell_volume   72.65
_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  0.0  0.0  1.0
  Ru  Ru1  1  0.13  0.0  0.14  1.0
  Ru  Ru2  1  0.13  0.0  0.93  1.0
  Pb  Pb3  1  0.0  0.0  0.53  1.0

Y Ru Ru Pb
YRu2Pb crystallizes in the triclinic P1 space group. Y(1) is bonded in a bent 120 degrees geometry to one Ru(1) and one Ru(2) atom. The Y(1)-Ru(1) bond length is 1.09 Å. The Y(1)-Ru(2) bond length is 0.67 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Y(1) and one Pb(1) atom. The Ru(1)-Pb(1) bond length is 2.80 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Y(1) and one Pb(1) atom. The Ru(2)-Pb(1) bond length is 2.80 Å. Pb(1) is bonded to one Ru(1), one Ru(2), and four equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing PbRu2Pb4 octahedra. The corner-sharing octahedra are not tilted. All Pb(1)-Pb(1) bond lengths are 3.22 Å.