data_[H4I4F4]
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 [P2_1/c]
_cell_length_a [6.9217]
_cell_length_b [4.3266]
_cell_length_c [10.0047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HIF]
_chemical_formula_sum '[H4 I4 F4]'
_cell_volume [299.0525]
_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
[
  H  H0  4  0.0021  0.0882  0.7623  1.0
  I  I1  4  0.4979  0.1671  0.1207  1.0
  F  F2  4  0.0106  0.2109  0.3089  1.0
]