data_[Cs12Zn4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7668]
_cell_length_b [7.7668]
_cell_length_c [12.4152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Cs3ZnF5]
_chemical_formula_sum '[Cs12 Zn4 F20]'
_cell_volume [748.9303]
_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  8  0.1725  0.3275  0.0000  1
  Cs  Cs1  4  0.0000  0.0000  0.2500  1
  Zn  Zn2  4  0.0000  0.5000  0.2500  1
  F  F3  16  0.1404  0.3596  0.6585  1
  F  F4  4  0.0000  0.0000  0.0000  1
]