data_Y3Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Pb5
_chemical_formula_sum   'Y3 Pb5'
_cell_volume   231.54
_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
  Y  Y5  1  0.0  0.0  0.0  1.0
  Y  Y6  1  0.67  0.29  0.37  1.0
  Y  Y7  1  0.67  0.71  0.37  1.0
  Pb  Pb0  1  0.67  0.0  0.0  1.0
  Pb  Pb1  1  0.33  0.38  0.0  1.0
  Pb  Pb2  1  0.33  0.62  0.0  1.0
  Pb  Pb3  1  0.22  0.0  0.37  1.0
  Pb  Pb4  1  0.12  0.0  0.37  1.0

data_Y3Pb5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   96.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Pb5
_chemical_formula_sum   'Y3 Pb5'
_cell_volume   231.54
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.37  0.67  0.29  1.0
  Y  Y2  1  0.37  0.67  0.71  1.0
  Pb  Pb3  1  0.0  0.67  0.0  1.0
  Pb  Pb4  1  0.0  0.33  0.62  1.0
  Pb  Pb5  1  0.0  0.33  0.38  1.0
  Pb  Pb6  1  0.37  0.12  0.0  1.0
  Pb  Pb7  1  0.37  0.22  0.0  1.0

Y Y Y Pb Pb Pb Pb Pb
Y3Pb5 crystallizes in the triclinic P1 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 2-coordinate geometry to one Pb(1), one Pb(2), and one Pb(5) atom. The Y(1)-Pb(1) bond length is 2.32 Å. The Y(1)-Pb(2) bond length is 3.36 Å. The Y(1)-Pb(5) bond length is 1.94 Å. In the second Y site, Y(2) is bonded in a 2-coordinate geometry to one Pb(1) and two equivalent Pb(2) atoms. The Y(2)-Pb(1) bond length is 2.69 Å. There is one shorter (3.05 Å) and one longer (3.90 Å) Y(2)-Pb(2) bond length. In the third Y site, Y(3) is bonded in a 2-coordinate geometry to one Pb(1) and one Pb(3) atom. The Y(3)-Pb(1) bond length is 2.69 Å. The Y(3)-Pb(3) bond length is 2.94 Å. There are five inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Y(3) atom. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to one Y(1), two equivalent Y(2), and one Pb(3) atom. The Pb(2)-Pb(3) bond length is 1.64 Å. In the third Pb site, Pb(3) is bonded in a 2-coordinate geometry to one Y(3) and one Pb(2) atom. In the fourth Pb site, Pb(4) is bonded in a single-bond geometry to one Pb(5) atom. The Pb(4)-Pb(5) bond length is 0.69 Å. In the fifth Pb site, Pb(5) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one Pb(4) atom.