data_[Na2Hf4Ti2F22]
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
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2553]
_cell_length_b [6.8704]
_cell_length_c [7.8396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaHf2TiF11]
_chemical_formula_sum '[Na2 Hf4 Ti2 F22]'
_cell_volume [447.5318]
_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  0.4903  0.5000  0.9881  1.0
  Hf  Hf1  2  0.4876  0.0000  0.7615  1.0
  Hf  Hf2  2  0.4938  0.0000  0.2289  1.0
  Ti  Ti3  2  0.4907  0.5000  0.4948  1.0
  F  F4  4  0.0035  0.2115  0.3013  1.0
  F  F5  4  0.4779  0.2891  0.6895  1.0
  F  F6  4  0.4912  0.1674  0.9953  1.0
  F  F7  2  0.2229  0.5000  0.8831  1.0
  F  F8  2  0.2387  0.5000  0.3499  1.0
  F  F9  2  0.2428  0.0000  0.6407  1.0
  F  F10  2  0.2585  0.0000  0.1045  1.0
  F  F11  2  0.4897  0.0000  0.4948  1.0
]