data_KHf
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   3.12
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf
_chemical_formula_sum   'K2 Hf2'
_cell_volume   150.19
_cell_formula_units_Z   2
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  K2  1  0.82  0.0  0.7  1.0
  K  K3  1  0.27  0.0  0.78  1.0
  Hf  Hf0  1  0.82  0.56  0.31  1.0
  Hf  Hf1  1  0.27  0.56  0.16  1.0

data_KHf
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.09
_cell_length_b   3.12
_cell_length_c   9.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   KHf
_chemical_formula_sum   'K2 Hf2'
_cell_volume   150.19
_cell_formula_units_Z   2
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
  K  K0  2  0.23  0.0  0.54  1.0
  Hf  Hf1  2  0.23  0.56  0.92  1.0

K K Hf Hf
K K Hf Hf 0 1 o o o 0 1 + o o 2 3 o o o 2 3 + o o 2 2 o + o 3 3 o + o 
KHf is Modderite-like structured and crystallizes in the monoclinic P2 space group. K(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Hf(1) atoms. There are a spread of K(1)-K(1) bond distances ranging from 2.44-3.12 Å. There is one shorter (3.89 Å) and one longer (4.03 Å) K(1)-Hf(1) bond length. Hf(1) is bonded in a distorted hexagonal planar geometry to two equivalent K(1) and four equivalent Hf(1) atoms. There is one shorter (2.73 Å) and three longer (3.12 Å) Hf(1)-Hf(1) bond lengths.