data_LiCd2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.25
_cell_angle_alpha   99.52
_cell_angle_beta   99.52
_cell_angle_gamma   36.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Ni
_chemical_formula_sum   'Li1 Cd2 Ni1'
_cell_volume   68.57
_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
  Cd  Cd0  1  0.5  0.0  0.83  1.0
  Cd  Cd1  1  0.61  0.0  0.34  1.0
  Ni  Ni3  1  0.05  0.0  0.59  1.0

data_LiCd2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.74
_cell_length_c   5.25
_cell_angle_alpha   99.52
_cell_angle_beta   90.0
_cell_angle_gamma   108.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Ni
_chemical_formula_sum   'Li1 Cd2 Ni1'
_cell_volume   68.57
_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
  Cd  Cd1  1  0.0  0.39  0.66  1.0
  Cd  Cd2  1  0.0  0.5  0.17  1.0
  Ni  Ni3  1  0.0  0.95  0.41  1.0

Li Cd Cd Ni
Li Cd Cd Ni 0 1 - o - 0 1 o o - 0 2 - o o 0 3 o o - 1 3 o o o 1 1 + - o 1 2 o o o 1 2 o o + 2 2 + - o 2 3 + o o 
LiNiCd2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 2-coordinate geometry to one Ni(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. The Li(1)-Ni(1) bond length is 2.22 Å. There is one shorter (2.40 Å) and one longer (2.64 Å) Li(1)-Cd(1) bond length. There is one shorter (2.80 Å) and one longer (3.12 Å) Li(1)-Cd(2) bond length. Ni(1) is bonded in a 3-coordinate geometry to one Li(1), one Cd(1), and three equivalent Cd(2) atoms. The Ni(1)-Cd(1) bond length is 2.29 Å. There are a spread of Ni(1)-Cd(2) bond distances ranging from 2.29-3.17 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to two equivalent Li(1), one Ni(1), and two equivalent Cd(2) atoms. There is one shorter (2.63 Å) and one longer (2.72 Å) Cd(1)-Cd(2) bond length. In the second Cd site, Cd(2) is bonded in a 9-coordinate geometry to two equivalent Li(1), three equivalent Ni(1), two equivalent Cd(1), and two equivalent Cd(2) atoms. Both Cd(2)-Cd(2) bond lengths are 2.94 Å.