data_Li2ZrCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2ZrCd
_chemical_formula_sum   'Li2 Zr1 Cd1'
_cell_volume   74.5
_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  0.68  0.24  0.58  1.0
  Li  Li2  1  0.68  0.76  0.58  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.37  0.0  0.0  1.0

data_Li2ZrCd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Li2ZrCd
_chemical_formula_sum   'Li2 Zr1 Cd1'
_cell_volume   74.56
_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  2  0.58  0.24  0.68  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.37  1.0

Li Li Zr Cd
Li2ZrCd crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Zr(1), and two equivalent Cd(1) atoms. There is one shorter (2.38 Å) and one longer (2.49 Å) Li(1)-Li(1) bond length. There is one shorter (2.36 Å) and one longer (2.66 Å) Li(1)-Zr(1) bond length. There is one shorter (2.36 Å) and one longer (2.66 Å) Li(1)-Cd(1) bond length. Zr(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Cd(1) atom. The Zr(1)-Cd(1) bond length is 1.78 Å. Cd(1) is bonded in a 5-coordinate geometry to four equivalent Li(1) and one Zr(1) atom.