data_[Li8Tl4Mo4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4833]
_cell_length_b [10.4960]
_cell_length_c [6.8546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2TlMoF6]
_chemical_formula_sum '[Li8 Tl4 Mo4 F24]'
_cell_volume [670.1461]
_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
[
  Li  Li0  8  0.1733  0.4238  0.1267  1.0
  Tl  Tl1  4  0.0000  0.1014  0.2500  1.0
  Mo  Mo2  4  0.0000  0.2963  0.7500  1.0
  F  F3  8  0.0194  0.3085  0.0579  1.0
  F  F4  8  0.1516  0.1490  0.7792  1.0
  F  F5  8  0.1593  0.4407  0.8069  1.0
]