data_[H4Se4O12]
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 [C2/m]
_cell_length_a [15.6173]
_cell_length_b [4.2517]
_cell_length_c [4.4146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HSeO3]
_chemical_formula_sum '[H4 Se4 O12]'
_cell_volume [285.5573]
_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  0.1610  0.5000  0.1838  1
  Se  Se1  4  0.1409  0.0000  0.4718  1
  O  O2  4  0.0175  0.0000  0.3602  1
  O  O3  4  0.1596  0.5000  0.4059  1
  O  O4  4  0.1631  0.0000  0.8504  1
]