data_[Cs2K2N4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0483]
_cell_length_b [4.9227]
_cell_length_c [7.6128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsK(NF4)2]
_chemical_formula_sum '[Cs2 K2 N4 F16]'
_cell_volume [446.5747]
_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  0.5000  0.5000  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  N  N2  4  0.2493  0.5000  0.1893  1.0
  F  F3  8  0.2309  0.2802  0.2969  1.0
  F  F4  4  0.0764  0.0000  0.7034  1.0
  F  F5  4  0.1207  0.5000  0.0669  1.0
]