data_[Se4O4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [5.7749]
_cell_length_b [7.8249]
_cell_length_c [6.3562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [SeOF2]
_chemical_formula_sum '[Se4 O4 F8]'
_cell_volume [287.2261]
_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  4  0.0440  0.8098  0.2567  1.0
  O  O1  4  0.2463  0.9027  0.8857  1.0
  F  F2  4  0.1281  0.2702  0.9696  1.0
  F  F3  4  0.1594  0.6045  0.2060  1.0
]