data_[Cs2N2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.1022]
_cell_length_b [4.6401]
_cell_length_c [7.5742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CsNF4]
_chemical_formula_sum '[Cs2 N2 F8]'
_cell_volume [249.6072]
_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
[
  Cs  Cs0  2  0.0000  0.1629  0.0306  1.0
  N  N1  2  0.0000  0.3594  0.4409  1.0
  F  F2  4  0.2378  0.6672  0.9056  1.0
  F  F3  2  0.0000  0.2302  0.6061  1.0
  F  F4  2  0.0000  0.6507  0.4832  1.0
]