data_[Cs6Li9Hf3H36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3593]
_cell_length_b [7.3593]
_cell_length_c [13.8526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Li3HfH12]
_chemical_formula_sum '[Cs6 Li9 Hf3 H36]'
_cell_volume [649.7291]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.3772  1
  Li  Li1  9  0.0000  0.5000  0.5000  1
  Hf  Hf2  3  0.0000  0.0000  0.0000  1
  H  H3  18  0.0390  0.5195  0.6306  1
  H  H4  18  0.1060  0.8940  0.1219  1
]