data_KHf2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   130.98
_cell_angle_beta   130.98
_cell_angle_gamma   71.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Ge
_chemical_formula_sum   'K1 Hf2 Ge1'
_cell_volume   89.39
_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  0.0  1.0
  Hf  Hf1  1  0.0  0.25  0.2  1.0
  Hf  Hf2  1  0.25  0.0  0.2  1.0
  Ge  Ge0  1  0.0  0.0  0.4  1.0

data_KHf2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   125.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KHf2Ge
_chemical_formula_sum   'K2 Hf4 Ge2'
_cell_volume   178.79
_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  0.0  1.0
  Hf  Hf1  4  0.43  0.37  0.05  1.0
  Ge  Ge2  2  0.1  0.5  0.6  1.0

K Hf Hf Ge
KHf2Ge crystallizes in the monoclinic Cm space group. K(1) is bonded in a water-like geometry to two equivalent Hf(1) and two equivalent Ge(1) atoms. Both K(1)-Hf(1) bond lengths are 1.06 Å. There is one shorter (2.17 Å) and one longer (3.26 Å) K(1)-Ge(1) bond length. Hf(1) is bonded in a single-bond geometry to one K(1) and two equivalent Ge(1) atoms. There is one shorter (2.25 Å) and one longer (3.44 Å) Hf(1)-Ge(1) bond length. Ge(1) is bonded in a distorted hexagonal planar geometry to two equivalent K(1) and four equivalent Hf(1) atoms.