data_[H2Se3I2]
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 [P-1]
_cell_length_a [3.3433]
_cell_length_b [7.9666]
_cell_length_c [8.3076]
_cell_angle_alpha [112.7838]
_cell_angle_beta [99.7690]
_cell_angle_gamma [91.5564]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [H2Se3I2]
_chemical_formula_sum '[H2 Se3 I2]'
_cell_volume [199.9929]
_cell_formula_units_Z [1]
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  0.0350  0.7684  0.0764  1
  Se  Se1  2  0.0664  0.6104  0.1444  1
  Se  Se2  1  0.0000  0.0000  0.0000  1
  I  I3  2  0.1714  0.2057  0.3654  1
]