data_[Li8Hf8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.2648]
_cell_length_b [3.8964]
_cell_length_c [12.9465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2Hf2O5]
_chemical_formula_sum '[Li8 Hf8 O20]'
_cell_volume [435.6025]
_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
[
  Li  Li0  4  0.0491  0.2399  0.4542  1
  Li  Li1  4  0.0748  0.7013  0.3284  1
  Hf  Hf2  4  0.3314  0.6783  0.1473  1
  Hf  Hf3  4  0.3336  0.1319  0.3664  1
  O  O4  4  0.1189  0.7462  0.0165  1
  O  O5  4  0.1256  0.1931  0.3366  1
  O  O6  4  0.3013  0.6525  0.2981  1
  O  O7  4  0.3840  0.1692  0.2130  1
  O  O8  4  0.4140  0.6183  0.0351  1
]