data_[Se4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0410]
_cell_length_b [6.2410]
_cell_length_c [6.3018]
_cell_angle_alpha [116.5540]
_cell_angle_beta [100.0262]
_cell_angle_gamma [106.0666]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Se2F]
_chemical_formula_sum '[Se4 F2]'
_cell_volume [159.8617]
_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
[
  Se  Se0  1  0.0430  0.4771  0.7638  1.0
  Se  Se1  1  0.1812  0.2024  0.3970  1.0
  Se  Se2  1  0.4665  0.8340  0.8917  1.0
  Se  Se3  1  0.7958  0.7658  0.1616  1.0
  F  F4  1  0.3607  0.0753  0.5867  1.0
  F  F5  1  0.9723  0.2896  0.1837  1.0
]