data_LiY2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   28.74
_cell_angle_beta   28.74
_cell_angle_gamma   28.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiY2Pd
_chemical_formula_sum   'Li1 Y2 Pd1'
_cell_volume   112.11
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.0  0.0  0.04  1.0
  Y  Y3  1  0.0  0.0  0.49  1.0
  Pd  Pd1  1  0.0  0.0  0.76  1.0

data_LiY2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.04
_cell_length_b   4.06
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   106.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiY2Pd
_chemical_formula_sum   'Li2 Y4 Pd2'
_cell_volume   224.22
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.0  0.0  0.51  1.0
  Y  Y2  2  0.0  0.0  0.96  1.0
  Pd  Pd3  2  0.0  0.0  0.24  1.0

Li Y Y Pd
Li Y Y Pd 0 1 o o o 0 3 o o - 1 3 o o - 2 3 o o o 
LiY2Pd is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiY2Pd clusters. Li(1) is bonded in a linear geometry to one Y(1) and one Pd(1) atom. The Li(1)-Y(1) bond length is 0.34 Å. The Li(1)-Pd(1) bond length is 1.93 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Y site, Y(2) is bonded in a single-bond geometry to one Pd(1) atom. The Y(2)-Pd(1) bond length is 2.28 Å. Pd(1) is bonded in a linear geometry to one Li(1) and one Y(2) atom.