data_[H4I2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7186]
_cell_length_b [5.9136]
_cell_length_c [5.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H2IF8]
_chemical_formula_sum '[H4 I2 F16]'
_cell_volume [303.2504]
_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
[
  H  H0  4  0.1195  0.5000  0.4551  1.0
  I  I1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1138  0.2297  0.1534  1.0
  F  F3  4  0.1165  0.0000  0.7088  1.0
  F  F4  4  0.1266  0.5000  0.6334  1.0
]