data_[H4I2F2]
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 [5.0291]
_cell_length_b [5.2987]
_cell_length_c [7.3986]
_cell_angle_alpha [90.9544]
_cell_angle_beta [98.0761]
_cell_angle_gamma [93.6712]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H2IF]
_chemical_formula_sum '[H4 I2 F2]'
_cell_volume [194.7318]
_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  0.2619  0.0654  0.5596  1
  H  H1  1  0.7583  0.1084  0.0886  1
  H  H2  1  0.8357  0.1658  0.5711  1
  H  H3  1  0.8618  0.5573  0.1050  1
  I  I4  1  0.5335  0.8671  0.0786  1
  I  I5  1  0.6155  0.3812  0.5837  1
  F  F6  1  0.1050  0.9473  0.5524  1
  F  F7  1  0.9861  0.4249  0.1113  1
]