data_[I4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Aea2]
_cell_length_a [9.0917]
_cell_length_b [9.1386]
_cell_length_c [6.2765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [41]
_chemical_formula_structural [IF7]
_chemical_formula_sum '[I4 F28]'
_cell_volume [521.4844]
_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
[
  I  I0  4  0.0000  0.0000  0.9977  1.0
  F  F1  8  0.0904  0.4160  0.2522  1.0
  F  F2  8  0.1075  0.3322  0.5885  1.0
  F  F3  8  0.1643  0.1196  0.0022  1.0
  F  F4  4  0.0000  0.0000  0.3010  1.0
]