data_[K8Hf4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.7449]
_cell_length_b [7.7449]
_cell_length_c [10.0252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [K2Hf]
_chemical_formula_sum '[K8 Hf4]'
_cell_volume [520.7813]
_cell_formula_units_Z [4]
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  6  0.1869  0.3737  0.2500  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Hf  Hf2  4  0.3333  0.6667  0.6220  1
]