data_[Se6F8]
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 [Pcc2]
_cell_length_a [6.3679]
_cell_length_b [18.5828]
_cell_length_c [9.0823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [27]
_chemical_formula_structural [Se3F4]
_chemical_formula_sum '[Se6 F8]'
_cell_volume [1074.7447]
_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  4  0.1962  0.4116  0.6790  1
  Se  Se1  2  0.5000  0.5000  0.1865  1
  F  F2  4  0.0087  0.4036  0.8249  1
  F  F3  2  0.0000  0.5000  0.1139  1
  F  F4  2  0.5000  0.5000  0.3886  1
]