data_[Se2O2F4]
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 [P2_1/m]
_cell_length_a [4.0962]
_cell_length_b [8.0421]
_cell_length_c [4.7877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SeOF2]
_chemical_formula_sum '[Se2 O2 F4]'
_cell_volume [143.6094]
_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  2  0.0620  0.7500  0.5432  1.0
  O  O1  2  0.4417  0.7500  0.8378  1.0
  F  F2  4  0.1281  0.5897  0.3069  1.0
]