data_[Fe1H24C6I2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [8.1760]
_cell_length_b [8.1760]
_cell_length_c [6.7538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [FeH24C6(IO3)2]
_chemical_formula_sum '[Fe1 H24 C6 I2 O6]'
_cell_volume [390.9793]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  H  H1  6  0.0937  0.7986  0.6090  1
  H  H2  6  0.1106  0.7636  0.1764  1
  H  H3  6  0.1110  0.4515  0.6488  1
  H  H4  6  0.1744  0.7331  0.8268  1
  C  C5  6  0.1538  0.3591  0.7214  1
  I  I6  2  0.3333  0.6667  0.2367  1
  O  O7  6  0.0045  0.7882  0.1736  1
]