data_[Cs4Ba4Na4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0471]
_cell_length_b [14.3510]
_cell_length_c [6.2849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsBaNaF4]
_chemical_formula_sum '[Cs4 Ba4 Na4 F16]'
_cell_volume [545.4100]
_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  0.4007  0.7500  1.0
  Ba  Ba1  4  0.0000  0.1274  0.7500  1.0
  Na  Na2  4  0.0000  0.2477  0.2500  1.0
  F  F3  8  0.2500  0.2500  0.0000  1.0
  F  F4  4  0.0000  0.0576  0.2500  1.0
  F  F5  4  0.0000  0.4051  0.2500  1.0
]