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 [P1]
_cell_length_a [3.4434]
_cell_length_b [5.8778]
_cell_length_c [6.6539]
_cell_angle_alpha [80.2428]
_cell_angle_beta [80.3410]
_cell_angle_gamma [89.7767]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HSeF2]
_chemical_formula_sum '[H2 Se2 F4]'
_cell_volume [130.8038]
_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  0.4118  0.3813  0.6376  1.0
  H  H1  1  0.7051  0.6891  0.5820  1.0
  Se  Se2  1  0.4117  0.0867  0.2743  1.0
  Se  Se3  1  0.9557  0.3522  0.1175  1.0
  F  F4  1  0.2818  0.2487  0.5936  1.0
  F  F5  1  0.4732  0.9111  0.0755  1.0
  F  F6  1  0.5688  0.5649  0.7088  1.0
  F  F7  1  0.8543  0.8281  0.4208  1.0
]