data_[Na6Hf2F14]
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 [Cm]
_cell_length_a [7.6749]
_cell_length_b [7.8717]
_cell_length_c [6.2806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3HfF7]
_chemical_formula_sum '[Na6 Hf2 F14]'
_cell_volume [313.9231]
_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  4  0.0056  0.2317  0.5096  1.0
  Na  Na1  2  0.4808  0.0000  0.9442  1.0
  Hf  Hf2  2  0.4538  0.5000  0.9734  1.0
  F  F3  4  0.1567  0.1709  0.2520  1.0
  F  F4  4  0.3765  0.2705  0.7768  1.0
  F  F5  2  0.1263  0.5000  0.7090  1.0
  F  F6  2  0.1441  0.0000  0.8375  1.0
  F  F7  2  0.3425  0.5000  0.2089  1.0
]