data_Li2IrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   7.02
_cell_angle_alpha   152.47
_cell_angle_beta   152.47
_cell_angle_gamma   39.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IrPd2
_chemical_formula_sum   'Li2 Ir1 Pd2'
_cell_volume   73.87
_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  0.0  0.67  0.31  1.0
  Li  Li2  1  0.67  0.0  0.31  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.96  1.0
  Pd  Pd4  1  0.0  0.0  0.27  1.0

data_Li2IrPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   109.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2IrPd2
_chemical_formula_sum   'Li4 Ir2 Pd4'
_cell_volume   147.75
_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  4  0.47  0.16  0.64  1.0
  Ir  Ir1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.27  0.0  0.27  1.0
  Pd  Pd3  2  0.46  0.5  0.96  1.0

Li Li Ir Pd Pd
Li2IrPd2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent Li(1), one Pd(2), and two equivalent Pd(1) atoms. There is one shorter (1.55 Å) and two longer (2.50 Å) Li(1)-Li(1) bond lengths. The Li(1)-Pd(2) bond length is 2.57 Å. There is one shorter (2.76 Å) and one longer (2.80 Å) Li(1)-Pd(1) bond length. Ir(1) is bonded in a distorted single-bond geometry to one Pd(1) and one Pd(2) atom. The Ir(1)-Pd(1) bond length is 0.27 Å. The Ir(1)-Pd(2) bond length is 1.86 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to four equivalent Li(1) and one Ir(1) atom. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Ir(1) atom.