data_[Cs6Zn3Ni9F36]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3216]
_cell_length_b [7.3216]
_cell_length_c [18.0483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2ZnNi3F12]
_chemical_formula_sum '[Cs6 Zn3 Ni9 F36]'
_cell_volume [837.8835]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3761  1
  Zn  Zn1  3  0.0000  0.0000  0.0000  1
  Ni  Ni2  9  0.0000  0.5000  0.5000  1
  F  F3  18  0.0643  0.5322  0.6046  1
  F  F4  18  0.0745  0.5373  0.8533  1
]