data_[Na6Hf6]
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
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [10.9077]
_cell_length_b [10.9077]
_cell_length_c [2.9970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [NaHf]
_chemical_formula_sum '[Na6 Hf6]'
_cell_volume [308.8056]
_cell_formula_units_Z [6]
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  6  0.0603  0.2780  0.7500  1
  Hf  Hf1  6  0.1421  0.5901  0.7500  1
]