data_[Na8Fe8F24]
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 [Cmce]
_cell_length_a [8.0016]
_cell_length_b [11.9417]
_cell_length_c [5.4993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [NaFeF3]
_chemical_formula_sum '[Na8 Fe8 F24]'
_cell_volume [525.4730]
_cell_formula_units_Z [8]
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  8  0.0000  0.0997  0.7562  1.0
  Fe  Fe1  8  0.2500  0.1299  0.2500  1.0
  F  F2  8  0.0000  0.1166  0.3421  1.0
  F  F3  8  0.1976  0.0000  0.0000  1.0
  F  F4  8  0.2500  0.2056  0.7500  1.0
]