data_[Na3Li12Hf9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3982]
_cell_length_b [7.3982]
_cell_length_c [18.3012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaLi4Hf3S8]
_chemical_formula_sum '[Na3 Li12 Hf9 S24]'
_cell_volume [867.4855]
_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
[
  Na  Na0  3  -0.0000  -0.0000  0.5000  1.0
  Li  Li1  9  0.0000  0.5000  0.0000  1.0
  Li  Li2  3  0.0000  0.0000  0.0000  1.0
  Hf  Hf3  9  0.0000  0.5000  0.5000  1.0
  S  S4  18  0.0168  0.5084  0.7521  1.0
  S  S5  6  0.0000  0.0000  0.2480  1.0
]