data_[Tl18F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9098]
_cell_length_b [7.9098]
_cell_length_c [19.2810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl3F4]
_chemical_formula_sum '[Tl18 F24]'
_cell_volume [1044.6970]
_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
[
  Tl  Tl0  9  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  6  0.0000  0.0000  0.1286  1.0
  Tl  Tl2  3  -0.0000  -0.0000  0.5000  1.0
  F  F3  18  0.0691  0.5345  0.2342  1.0
  F  F4  6  0.0000  0.0000  0.2542  1.0
]