data_KHf2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Ge
_chemical_formula_sum   'K1 Hf2 Ge1'
_cell_volume   111.48
_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
  K  K3  1  0.0  0.0  0.89  1.0
  Hf  Hf1  1  0.0  0.0  0.48  1.0
  Hf  Hf2  1  0.78  0.78  0.36  1.0
  Ge  Ge0  1  0.78  0.78  0.32  1.0

data_KHf2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KHf2Ge
_chemical_formula_sum   'K2 Hf4 Ge2'
_cell_volume   222.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  K  K0  2  0.0  0.0  0.89  1.0
  Hf  Hf1  2  0.0  0.0  0.48  1.0
  Hf  Hf2  2  0.28  0.5  0.36  1.0
  Ge  Ge3  2  0.28  0.5  0.32  1.0

K Hf Hf Ge
KHf2Ge crystallizes in the monoclinic Cm space group. K(1) is bonded to four equivalent K(1), one Hf(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing KK4HfGe octahedra. The corner-sharing octahedra are not tilted. All K(1)-K(1) bond lengths are 3.56 Å. The K(1)-Hf(1) bond length is 3.58 Å. The K(1)-Ge(1) bond length is 3.95 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 1-coordinate geometry to one K(1) and one Hf(2) atom. The Hf(1)-Hf(2) bond length is 1.55 Å. In the second Hf site, Hf(2) is bonded in a single-bond geometry to one Hf(1) and one Ge(1) atom. The Hf(2)-Ge(1) bond length is 0.39 Å. Ge(1) is bonded in a single-bond geometry to one K(1) and one Hf(2) atom.