data_[H10Se2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [8.4630]
_cell_length_b [8.4630]
_cell_length_c [8.2037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [H5SeI4]
_chemical_formula_sum '[H10 Se2 I8]'
_cell_volume [587.5743]
_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  8  0.1140  0.7852  0.9704  1
  H  H1  2  0.0000  0.0000  0.7910  1
  Se  Se2  2  0.0000  0.0000  0.9721  1
  I  I3  8  0.1034  0.2900  0.4612  1
]