data_[Cs4K4Ba4F16]
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
  Ba  0.8900  2.1500  1.4900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.0488]
_cell_length_b [8.2493]
_cell_length_c [11.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsKBaF4]
_chemical_formula_sum '[Cs4 K4 Ba4 F16]'
_cell_volume [767.7297]
_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
[
  Cs  Cs0  4  0.0000  0.2500  0.3666  1.0
  K  K1  4  0.2500  0.2500  0.7500  1.0
  Ba  Ba2  4  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0000  0.0305  0.7775  1.0
  F  F4  8  0.2045  0.2500  0.9906  1.0
]