data_[Na3Fe12F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5344]
_cell_length_b [6.5344]
_cell_length_c [16.3804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaFe4F8]
_chemical_formula_sum '[Na3 Fe12 F24]'
_cell_volume [605.7053]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Fe  Fe1  9  0.0000  0.5000  0.0000  1
  Fe  Fe2  3  0.0000  0.0000  0.0000  1
  F  F3  18  0.0297  0.5149  0.2685  1
  F  F4  6  0.0000  0.0000  0.2718  1
]