data_[K8Hf4Ti4O20]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3109]
_cell_length_b [12.8245]
_cell_length_c [13.2074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2HfTiO5]
_chemical_formula_sum '[K8 Hf4 Ti4 O20]'
_cell_volume [560.7870]
_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  4  0.0000  0.0729  0.6767  1.0
  K  K1  4  0.0000  0.1700  0.2930  1.0
  Hf  Hf2  4  0.0000  0.2233  0.0266  1.0
  Ti  Ti3  4  0.0000  0.4815  0.4454  1.0
  O  O4  4  0.0000  0.0514  0.0147  1.0
  O  O5  4  0.0000  0.2745  0.6273  1.0
  O  O6  4  0.0000  0.3150  0.4304  1.0
  O  O7  4  0.0000  0.3764  0.9945  1.0
  O  O8  4  0.0000  0.4946  0.8154  1.0
]