data_[H4I2F8]
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 [P1]
_cell_length_a [5.9003]
_cell_length_b [6.3472]
_cell_length_c [7.2315]
_cell_angle_alpha [103.4348]
_cell_angle_beta [100.0890]
_cell_angle_gamma [113.0835]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H2IF4]
_chemical_formula_sum '[H4 I2 F8]'
_cell_volume [231.3447]
_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  1  0.3174  0.1418  0.8128  1
  H  H1  1  0.3638  0.6209  0.6130  1
  H  H2  1  0.4471  0.6899  0.2383  1
  H  H3  1  0.8831  0.5820  0.2919  1
  I  I4  1  0.0244  0.9014  0.0365  1
  I  I5  1  0.6152  0.2531  0.5226  1
  F  F6  1  0.0803  0.0535  0.8164  1
  F  F7  1  0.2209  0.6533  0.6297  1
  F  F8  1  0.3381  0.5326  0.1405  1
  F  F9  1  0.5108  0.2170  0.8122  1
  F  F10  1  0.5997  0.5731  0.5832  1
  F  F11  1  0.6461  0.9482  0.4092  1
  F  F12  1  0.7154  0.3310  0.2903  1
  F  F13  1  0.9878  0.7521  0.3034  1
]