data_[Cs4Li12F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3152]
_cell_length_b [5.6043]
_cell_length_c [7.9590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLi3F4]
_chemical_formula_sum '[Cs4 Li12 F16]'
_cell_volume [426.2628]
_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  0.1633  0.5000  0.2644  1.0
  Li  Li1  4  0.0018  0.0000  0.6889  1.0
  Li  Li2  4  0.1105  0.5000  0.6693  1.0
  Li  Li3  4  0.2066  0.0000  0.0362  1.0
  F  F4  8  0.1230  0.2495  0.8631  1.0
  F  F5  4  0.0000  0.2510  0.5000  1.0
  F  F6  4  0.1873  0.0000  0.2767  1.0
]