data_[Na4Hf4F20]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7980]
_cell_length_b [10.6434]
_cell_length_c [8.1946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaHfF5]
_chemical_formula_sum '[Na4 Hf4 F20]'
_cell_volume [481.6790]
_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  0.4918  0.5059  0.7181  1
  Hf  Hf1  4  0.0810  0.7458  0.8794  1
  F  F2  4  0.0944  0.7204  0.1321  1
  F  F3  4  0.1542  0.1082  0.6948  1
  F  F4  4  0.1868  0.1324  0.1616  1
  F  F5  4  0.3256  0.6164  0.4598  1
  F  F6  4  0.3473  0.6235  0.9035  1
]