data_[Cs6Li2F8]
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 [Imm2]
_cell_length_a [6.3811]
_cell_length_b [9.0161]
_cell_length_c [6.8846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Cs3LiF4]
_chemical_formula_sum '[Cs6 Li2 F8]'
_cell_volume [396.0921]
_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  4  0.0000  0.2312  0.5474  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0407  1.0
  Li  Li2  2  0.0000  0.5000  0.0082  1.0
  F  F3  4  0.0000  0.3190  0.1564  1.0
  F  F4  4  0.2378  0.5000  0.8472  1.0
]