data_[H2Se4F2]
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 [P2_1]
_cell_length_a [6.6593]
_cell_length_b [4.2700]
_cell_length_c [6.7007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [HSe2F]
_chemical_formula_sum '[H2 Se4 F2]'
_cell_volume [190.4342]
_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  2  0.0111  0.9311  0.9878  1.0
  Se  Se1  2  0.2747  0.3456  0.5032  1.0
  Se  Se2  2  0.4996  0.9280  0.7240  1.0
  F  F3  2  0.0625  0.1364  0.9395  1.0
]