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 [8.2359]
_cell_length_b [6.0342]
_cell_length_c [8.0890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLi2TiF8]
_chemical_formula_sum '[Cs2 Li4 Ti2 F16]'
_cell_volume [384.2784]
_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  1.0
  Li  Li1  4  0.0638  0.5000  0.8002  1.0
  Ti  Ti2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.0371  0.2229  0.1741  1.0
  F  F4  4  0.1172  0.5000  0.5809  1.0
  F  F5  4  0.2324  0.0000  0.0191  1.0
]