data_LiCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   145.26
_cell_angle_beta   125.08
_cell_angle_gamma   66.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Pd
_chemical_formula_sum   'Li1 Cr2 Pd1'
_cell_volume   52.61
_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  Li2  1  0.0  0.0  1.0  1.0
  Cr  Cr0  1  0.0  0.0  0.25  1.0
  Cr  Cr1  1  0.45  0.0  0.77  1.0
  Pd  Pd3  1  0.0  0.24  0.1  1.0

data_LiCr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.48
_cell_length_c   4.85
_cell_angle_alpha   117.46
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Pd
_chemical_formula_sum   'Li1 Cr2 Pd1'
_cell_volume   52.61
_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  1.0  1.0  1.0
  Cr  Cr1  1  0.0  0.25  0.25  1.0
  Cr  Cr2  1  0.0  0.77  0.32  1.0
  Pd  Pd3  1  0.76  0.86  0.86  1.0

Li Cr Cr Pd
LiCr2Pd crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1), one Cr(2), and one Pd(1) atom. The Li(1)-Cr(1) bond length is 1.22 Å. The Li(1)-Cr(2) bond length is 2.23 Å. The Li(1)-Pd(1) bond length is 0.81 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Li(1) and one Cr(2) atom. The Cr(1)-Cr(2) bond length is 2.18 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Li(1), one Cr(1), and three equivalent Pd(1) atoms. There are a spread of Cr(2)-Pd(1) bond distances ranging from 2.35-2.76 Å. Pd(1) is bonded in a single-bond geometry to one Li(1) and three equivalent Cr(2) atoms.