data_[H2Se2O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7483]
_cell_length_b [2.8551]
_cell_length_c [4.0542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HSeO]
_chemical_formula_sum '[H2 Se2 O2]'
_cell_volume [89.7509]
_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  0.0763  0.0000  0.8991  1
  Se  Se1  2  0.4330  0.5000  0.2515  1
  O  O2  2  0.1219  0.0000  0.1764  1
]