data_[H4Se2F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9733]
_cell_length_b [5.6314]
_cell_length_c [5.2040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2426]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H2SeF8]
_chemical_formula_sum '[H4 Se2 F16]'
_cell_volume [292.0507]
_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  4  0.2465  0.5000  0.3537  1.0
  Se  Se1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0949  0.2173  0.8527  1.0
  F  F3  4  0.1131  0.0000  0.2624  1.0
  F  F4  4  0.1553  0.5000  0.3919  1.0
]