data_[Li2Hf2O2]
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 [Pmm2]
_cell_length_a [3.1281]
_cell_length_b [3.1385]
_cell_length_c [9.0346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [LiHfO]
_chemical_formula_sum '[Li2 Hf2 O2]'
_cell_volume [88.6955]
_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
[
  Li  Li0  1  0.0000  0.0000  0.2443  1
  Li  Li1  1  0.5000  0.5000  0.0112  1
  Hf  Hf2  1  0.0000  0.0000  0.7694  1
  Hf  Hf3  1  0.5000  0.5000  0.5255  1
  O  O4  1  0.0000  0.5000  0.3700  1
  O  O5  1  0.5000  0.5000  0.7939  1
]