data_[Na2Hf8Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6479]
_cell_length_b [4.6479]
_cell_length_c [14.8309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Na(Hf2Al)2]
_chemical_formula_sum '[Na2 Hf8 Al4]'
_cell_volume [320.3985]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Hf  Hf1  4  0.0000  0.0000  0.1851  1
  Hf  Hf2  4  0.0000  0.5000  0.0000  1
  Al  Al3  4  0.0000  0.0000  0.3742  1
]