data_[Fe24B56I8O104]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [F-43c]
_cell_length_a [12.1925]
_cell_length_b [12.1925]
_cell_length_c [12.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [219]
_chemical_formula_structural [Fe3B7IO13]
_chemical_formula_sum '[Fe24 B56 I8 O104]'
_cell_volume [1812.4839]
_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
[
  Fe  Fe0  24  0.0000  0.2500  0.2500  1
  B  B1  32  0.0795  0.0795  0.0795  1
  B  B2  24  0.0000  0.0000  0.2500  1
  I  I3  8  0.2500  0.2500  0.2500  1
  O  O4  96  0.0202  0.0960  0.1799  1
  O  O5  8  0.0000  0.0000  0.0000  1
]