data_[H40Se4O32]
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 [Pnma]
_cell_length_a [5.5983]
_cell_length_b [12.2867]
_cell_length_c [8.9875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [H10SeO8]
_chemical_formula_sum '[H40 Se4 O32]'
_cell_volume [618.2059]
_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  8  0.0075  0.1440  0.1465  1
  H  H1  8  0.0224  0.0028  0.1693  1
  H  H2  8  0.0267  0.5980  0.6861  1
  H  H3  8  0.1119  0.6469  0.2009  1
  H  H4  8  0.2490  0.5956  0.0648  1
  Se  Se5  4  0.1448  0.7500  0.4802  1
  O  O6  8  0.0036  0.1355  0.4800  1
  O  O7  8  0.0650  0.5812  0.7944  1
  O  O8  8  0.0967  0.5896  0.1221  1
  O  O9  4  0.1107  0.2500  0.0869  1
  O  O10  4  0.2067  0.7500  0.2994  1
]