data_Y2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BPb
_chemical_formula_sum   'Y2 B1 Pb1'
_cell_volume   89.69
_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  0.63  0.63  0.81  1.0
  Y  Y3  1  0.63  0.63  0.58  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.2  1.0

data_Y2BPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2BPb
_chemical_formula_sum   'Y4 B2 Pb2'
_cell_volume   179.38
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.13  0.5  0.58  1.0
  Y  Y1  2  0.13  0.5  0.81  1.0
  B  B2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.2  1.0

Y Y B Pb
Y2BPb crystallizes in the monoclinic Cm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 1-coordinate geometry to one Y(2) and one B(1) atom. The Y(1)-Y(2) bond length is 1.93 Å. The Y(1)-B(1) bond length is 2.32 Å. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one Y(1), four equivalent Y(2), and three equivalent Pb(1) atoms. All Y(2)-Y(2) bond lengths are 3.27 Å. There is one shorter (3.65 Å) and two longer (4.02 Å) Y(2)-Pb(1) bond lengths. B(1) is bonded in a 2-coordinate geometry to one Y(1) and one Pb(1) atom. The B(1)-Pb(1) bond length is 1.65 Å. Pb(1) is bonded in a single-bond geometry to three equivalent Y(2) and one B(1) atom.