data_[Tl18Bi12F54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [11.6960]
_cell_length_b [11.6960]
_cell_length_c [14.3051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Tl3Bi2F9]
_chemical_formula_sum '[Tl18 Bi12 F54]'
_cell_volume [1694.7205]
_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  18  0.0000  0.3192  0.2500  1
  Bi  Bi1  12  0.0000  0.0000  0.1283  1
  F  F2  36  0.0293  0.1972  0.4150  1
  F  F3  18  0.0000  0.1324  0.7500  1
]