data_LiCd2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Ge
_chemical_formula_sum   'Li1 Cd2 Ge1'
_cell_volume   80.72
_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  Li3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.12  0.0  0.07  1.0
  Cd  Cd1  1  0.12  0.0  0.79  1.0
  Ge  Ge2  1  0.0  0.0  0.43  1.0

data_LiCd2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiCd2Ge
_chemical_formula_sum   'Li1 Cd2 Ge1'
_cell_volume   80.73
_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
  Cd  Cd1  1  0.12  0.0  0.07  1.0
  Cd  Cd2  1  0.12  0.0  0.79  1.0
  Ge  Ge3  1  0.0  0.0  0.43  1.0

Li Cd Cd Ge
Li Cd Cd Ge 0 1 o o o 0 2 o o - 1 3 o o o 2 3 o o o 3 3 o + o 3 3 + o o 
LiCd2Ge crystallizes in the monoclinic Pm space group. Li(1) is bonded in a distorted single-bond geometry to one Cd(1) and one Cd(2) atom. The Li(1)-Cd(1) bond length is 0.71 Å. The Li(1)-Cd(2) bond length is 1.86 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a single-bond geometry to one Li(1) and one Ge(1) atom. The Cd(1)-Ge(1) bond length is 3.23 Å. In the second Cd site, Cd(2) is bonded in a single-bond geometry to one Li(1) and one Ge(1) atom. The Cd(2)-Ge(1) bond length is 3.23 Å. Ge(1) is bonded to one Cd(1), one Cd(2), and four equivalent Ge(1) atoms to form a mixture of corner and edge-sharing GeCd2Ge4 octahedra. The corner-sharing octahedra are not tilted. All Ge(1)-Ge(1) bond lengths are 3.02 Å.