data_LiCr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51
_cell_length_b   2.51
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Pd
_chemical_formula_sum   'Li1 Cr2 Pd1'
_cell_volume   53.88
_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  0.0  1.0
  Cr  Cr0  1  0.47  0.0  0.69  1.0
  Cr  Cr1  1  0.47  0.0  0.31  1.0
  Pd  Pd3  1  0.0  0.0  0.5  1.0

data_LiCr2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.51
_cell_length_b   9.01
_cell_length_c   2.51
_cell_angle_alpha   90.0
_cell_angle_beta   108.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiCr2Pd
_chemical_formula_sum   'Li1 Cr2 Pd1'
_cell_volume   53.88
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Cr  Cr1  2  0.47  0.31  0.0  1.0
  Pd  Pd2  1  0.0  0.5  0.0  1.0

Li Cr Cr Pd
Li Cr Cr Pd 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - o - 0 1 o o - 0 2 o o o 1 3 o o o 1 3 + o o 1 1 o + o 1 1 + o o 2 2 o + o 2 2 + o o 2 3 o o o 2 3 + o o 3 3 o + o 3 3 + o o 
LiCr2Pd crystallizes in the triclinic P1 space group. Li(1) is bonded in a 8-coordinate geometry to four equivalent Li(1), two equivalent Cr(1), and two equivalent Cr(2) atoms. All Li(1)-Li(1) bond lengths are 2.51 Å. There is one shorter (3.00 Å) and one longer (3.07 Å) Li(1)-Cr(1) bond length. There is one shorter (3.07 Å) and one longer (3.14 Å) Li(1)-Cr(2) bond length. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 2-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. There is one shorter (2.07 Å) and one longer (2.17 Å) Cr(1)-Pd(1) bond length. In the second Cr site, Cr(2) is bonded in a 2-coordinate geometry to two equivalent Li(1) and two equivalent Pd(1) atoms. There is one shorter (2.07 Å) and one longer (2.17 Å) Cr(2)-Pd(1) bond length. Pd(1) is bonded in a 4-coordinate geometry to two equivalent Cr(1) and two equivalent Cr(2) atoms.