data_[Tl8Ge8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [9.4559]
_cell_length_b [12.2884]
_cell_length_c [7.3388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlGeF3]
_chemical_formula_sum '[Tl8 Ge8 F24]'
_cell_volume [837.6809]
_cell_formula_units_Z [8]
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
[
  Tl  Tl0  4  0.0000  0.0641  0.7500  1.0
  Tl  Tl1  4  0.0000  0.3239  0.2500  1.0
  Ge  Ge2  8  0.1740  0.3646  0.8169  1.0
  F  F3  8  0.1223  0.1435  0.1036  1.0
  F  F4  8  0.1760  0.2384  0.6732  1.0
  F  F5  8  0.1939  0.4596  0.6263  1.0
]