data_[Cs2Li2Mo2F12]
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
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.6230]
_cell_length_b [9.3709]
_cell_length_c [6.5382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsLiMoF6]
_chemical_formula_sum '[Cs2 Li2 Mo2 F12]'
_cell_volume [344.4481]
_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  0.9904  0.5000  1.0
  Li  Li1  2  0.0000  0.6689  0.0000  1.0
  Mo  Mo2  2  0.0000  0.3288  0.0000  1.0
  F  F3  4  0.1181  0.4931  0.1708  1.0
  F  F4  4  0.1850  0.1947  0.1781  1.0
  F  F5  4  0.2000  0.8124  0.1665  1.0
]