data_[Se4F4]
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 [P-1]
_cell_length_a [5.2700]
_cell_length_b [6.0125]
_cell_length_c [6.6849]
_cell_angle_alpha [106.8956]
_cell_angle_beta [104.4029]
_cell_angle_gamma [111.2785]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SeF]
_chemical_formula_sum '[Se4 F4]'
_cell_volume [173.3138]
_cell_formula_units_Z [4]
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  2  0.1620  0.9527  0.1212  1.0
  Se  Se1  2  0.4479  0.6098  0.6904  1.0
  F  F2  2  0.2527  0.7624  0.5411  1.0
  F  F3  2  0.3070  0.5025  0.1408  1.0
]