data_[K2Y2Hf2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3895]
_cell_length_b [6.1557]
_cell_length_c [11.7531]
_cell_angle_alpha [81.1890]
_cell_angle_beta [87.6123]
_cell_angle_gamma [74.3324]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KYHf]
_chemical_formula_sum '[K2 Y2 Hf2]'
_cell_volume [233.3239]
_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  K0  1  0.3966  0.9536  0.9260  1
  K  K1  1  0.9980  0.5287  0.6839  1
  Y  Y2  1  0.1338  0.4060  0.1952  1
  Y  Y3  1  0.7494  0.1023  0.4528  1
  Hf  Hf4  1  0.4771  0.6552  0.3857  1
  Hf  Hf5  1  0.8650  0.9304  0.2134  1
]