data_[H2Se2F4]
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 [Pm]
_cell_length_a [4.1820]
_cell_length_b [3.5168]
_cell_length_c [8.5895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HSeF2]
_chemical_formula_sum '[H2 Se2 F4]'
_cell_volume [126.2427]
_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  1  0.0180  0.5000  0.6141  1.0
  H  H1  1  0.5214  0.5000  0.5876  1.0
  Se  Se2  1  0.0518  0.0000  0.1895  1.0
  Se  Se3  1  0.7229  0.5000  0.0642  1.0
  F  F4  1  0.3063  0.5000  0.5317  1.0
  F  F5  1  0.3536  0.0000  0.9851  1.0
  F  F6  1  0.8136  0.0000  0.3653  1.0
  F  F7  1  0.8151  0.5000  0.6721  1.0
]