data_LiHfGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.89
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfGe2
_chemical_formula_sum   'Li1 Hf1 Ge2'
_cell_volume   71.45
_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  0.67  1.0
  Hf  Hf2  1  0.0  0.45  0.0  1.0
  Ge  Ge0  1  0.5  0.45  0.56  1.0
  Ge  Ge1  1  0.5  0.0  0.09  1.0

data_LiHfGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.88
_cell_length_b   2.99
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiHfGe2
_chemical_formula_sum   'Li1 Hf1 Ge2'
_cell_volume   71.45
_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  0.33  0.0  0.0  1.0
  Hf  Hf1  1  1.0  0.0  0.55  1.0
  Ge  Ge2  1  0.44  0.5  0.55  1.0
  Ge  Ge3  1  0.91  0.5  0.0  1.0

Li Hf Ge Ge
LiHfGe2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Ge(1), and two equivalent Ge(2) atoms. There is one shorter (2.72 Å) and one longer (3.16 Å) Li(1)-Hf(1) bond length. There is one shorter (2.69 Å) and one longer (2.71 Å) Li(1)-Ge(1) bond length. There is one shorter (2.53 Å) and one longer (2.55 Å) Li(1)-Ge(2) bond length. Hf(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Hf(1), four equivalent Ge(1), and four equivalent Ge(2) atoms. Both Hf(1)-Hf(1) bond lengths are 2.99 Å. There are a spread of Hf(1)-Ge(1) bond distances ranging from 2.60-3.13 Å. There are a spread of Hf(1)-Ge(2) bond distances ranging from 2.68-3.13 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and four equivalent Hf(1) atoms. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to two equivalent Li(1) and four equivalent Hf(1) atoms.