data_[H6Se2I6]
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 [P2_1/m]
_cell_length_a [7.3380]
_cell_length_b [7.9669]
_cell_length_c [9.2177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [H3SeI3]
_chemical_formula_sum '[H6 Se2 I6]'
_cell_volume [510.8924]
_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  2  0.0919  0.2500  0.6851  1.0
  H  H1  2  0.4034  0.7500  0.9854  1.0
  H  H2  2  0.4457  0.2500  0.1749  1.0
  Se  Se3  2  0.3491  0.7500  0.8159  1.0
  I  I4  2  0.0121  0.2500  0.8481  1.0
  I  I5  2  0.1875  0.2500  0.4897  1.0
  I  I6  2  0.4154  0.7500  0.3387  1.0
]