data_KHfSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfSi
_chemical_formula_sum   'K1 Hf1 Si1'
_cell_volume   94.01
_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  K1  1  0.0  0.58  0.91  1.0
  Hf  Hf0  1  0.24  0.29  0.67  1.0
  Si  Si2  1  0.0  0.0  0.25  1.0

data_KHfSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHfSi
_chemical_formula_sum   'K1 Hf1 Si1'
_cell_volume   94.01
_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  K0  1  0.0  0.58  0.91  1.0
  Hf  Hf1  1  0.24  0.29  0.67  1.0
  Si  Si2  1  0.0  0.0  0.25  1.0

K Hf Si
KHfSi crystallizes in the triclinic P1 space group. K(1) is bonded in a 5-coordinate geometry to three equivalent Hf(1) and two equivalent Si(1) atoms. There are a spread of K(1)-Hf(1) bond distances ranging from 2.44-3.25 Å. There is one shorter (2.58 Å) and one longer (3.17 Å) K(1)-Si(1) bond length. Hf(1) is bonded in a 5-coordinate geometry to three equivalent K(1) and two equivalent Si(1) atoms. There is one shorter (2.61 Å) and one longer (3.33 Å) Hf(1)-Si(1) bond length. Si(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Hf(1) atoms.