data_[Ba2Na4Fe8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Cm]
_cell_length_a [11.5875]
_cell_length_b [8.0895]
_cell_length_c [8.1533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.8019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaNa2Fe4F12]
_chemical_formula_sum '[Ba2 Na4 Fe8 F24]'
_cell_volume [542.2839]
_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
[
  Ba  Ba0  2  0.0006  0.0000  0.9995  1.0
  Na  Na1  2  0.0548  0.5000  0.0560  1.0
  Na  Na2  2  0.4988  0.0000  0.5368  1.0
  Fe  Fe3  4  0.2493  0.2492  0.5040  1.0
  Fe  Fe4  4  0.2535  0.2467  0.0029  1.0
  F  F5  4  0.0010  0.2925  0.8069  1.0
  F  F6  4  0.0010  0.2876  0.1889  1.0
  F  F7  4  0.2135  0.3109  0.7152  1.0
  F  F8  4  0.2857  0.8053  0.2875  1.0
  F  F9  2  0.2045  0.0000  0.9251  1.0
  F  F10  2  0.2075  0.0000  0.4872  1.0
  F  F11  2  0.2824  0.5000  0.0700  1.0
  F  F12  2  0.2841  0.5000  0.4966  1.0
]