data_[Cs2Li4Ti2F16]
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
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2144]
_cell_length_b [6.0431]
_cell_length_c [8.0863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLi2TiF8]
_chemical_formula_sum '[Cs2 Li4 Ti2 F16]'
_cell_volume [383.7538]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Li  Li1  4  0.0636  0.5000  0.8008  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  F  F3  8  0.0375  0.2228  0.1747  1
  F  F4  4  0.1173  0.5000  0.5803  1
  F  F5  4  0.2321  0.0000  0.0188  1
]