data_[Na8H16Se8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Cmc2_1]
_cell_length_a [6.6851]
_cell_length_b [10.9673]
_cell_length_c [9.4553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaH2SeO4]
_chemical_formula_sum '[Na8 H16 Se8 O32]'
_cell_volume [693.2394]
_cell_formula_units_Z [8]
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
[
  Na  Na0  8  0.2381  0.3292  0.4273  1
  H  H1  8  0.2350  0.0856  0.4508  1
  H  H2  4  0.0000  0.1837  0.2076  1
  H  H3  4  0.0000  0.3211  0.1785  1
  Se  Se4  4  0.0000  0.0624  0.6312  1
  Se  Se5  4  0.0000  0.4073  0.7480  1
  O  O6  8  0.2026  0.1357  0.5398  1
  O  O7  8  0.2060  0.4789  0.8090  1
  O  O8  4  0.0000  0.0763  0.0556  1
  O  O9  4  0.0000  0.2633  0.2570  1
  O  O10  4  0.0000  0.2653  0.8103  1
  O  O11  4  0.0000  0.4115  0.5739  1
]