data_Li2CaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaPd
_chemical_formula_sum   'Li2 Ca1 Pd1'
_cell_volume   84.87
_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  Li1  1  0.74  0.74  0.47  1.0
  Li  Li2  1  0.0  0.0  0.94  1.0
  Ca  Ca0  1  0.0  0.0  0.9  1.0
  Pd  Pd3  1  0.74  0.74  0.18  1.0

data_Li2CaPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CaPd
_chemical_formula_sum   'Li4 Ca2 Pd2'
_cell_volume   169.75
_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  0.94  1.0
  Li  Li1  2  0.24  0.5  0.47  1.0
  Ca  Ca2  2  0.0  0.0  0.9  1.0
  Pd  Pd3  2  0.24  0.5  0.18  1.0

Li Li Ca Pd
Li2CaPd is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2CaPd clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Pd(1) atom. The Li(1)-Pd(1) bond length is 2.05 Å. In the second Li site, Li(2) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one Pd(1) atom. The Li(2)-Ca(1) bond length is 0.34 Å. The Li(2)-Pd(1) bond length is 2.08 Å. Ca(1) is bonded in a single-bond geometry to one Li(2) atom. Pd(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one Li(2) atom.