data_[Na4Hf16Se32]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.1547]
_cell_length_b [11.1547]
_cell_length_c [11.1547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Na(HfSe2)4]
_chemical_formula_sum '[Na4 Hf16 Se32]'
_cell_volume [1387.9381]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.7500  1.0
  Hf  Hf1  16  0.1290  0.1290  0.3710  1.0
  Se  Se2  16  0.1132  0.1132  0.6132  1.0
  Se  Se3  16  0.1293  0.1293  0.1293  1.0
]