data_[Cs12Tl6Ge6F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9027]
_cell_length_b [6.9027]
_cell_length_c [32.9177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2TlGeF6]
_chemical_formula_sum '[Cs12 Tl6 Ge6 F36]'
_cell_volume [1358.2978]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1366  1
  Cs  Cs1  6  0.0000  0.0000  0.2714  1
  Tl  Tl2  6  0.0000  0.0000  0.4017  1
  Ge  Ge3  3  -0.0000  -0.0000  0.5000  1
  Ge  Ge4  3  0.0000  0.0000  0.0000  1
  F  F5  18  0.0253  0.5127  0.1258  1
  F  F6  18  0.0837  0.5419  0.6992  1
]