data_[Na8Fe4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7183]
_cell_length_b [18.8242]
_cell_length_c [5.9068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2FeBr6]
_chemical_formula_sum '[Na8 Fe4 Br24]'
_cell_volume [1272.9039]
_cell_formula_units_Z [4]
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  0.1256  0.4170  0.5554  1
  Fe  Fe1  4  0.0000  0.1817  0.2500  1
  Br  Br2  8  0.1018  0.2507  0.5529  1
  Br  Br3  8  0.1247  0.1046  0.1184  1
  Br  Br4  8  0.1353  0.4256  0.0634  1
]