data_[Li16Y8Hf8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.0855]
_cell_length_b [8.8351]
_cell_length_c [16.6324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Li2YHf]
_chemical_formula_sum '[Li16 Y8 Hf8]'
_cell_volume [747.3034]
_cell_formula_units_Z [8]
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  16  0.0000  0.1575  0.1843  1.0
  Y  Y1  8  0.0000  0.0000  0.4022  1.0
  Hf  Hf2  8  0.0000  0.1671  0.0000  1.0
]