data_[Li24Tl6Bi9]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8149]
_cell_length_b [5.8149]
_cell_length_c [30.7374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li8Tl2Bi3]
_chemical_formula_sum '[Li24 Tl6 Bi9]'
_cell_volume [900.0824]
_cell_formula_units_Z [3]
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  18  0.0033  0.5016  0.7848  1
  Li  Li1  6  0.0000  0.0000  0.2850  1
  Tl  Tl2  6  0.0000  0.0000  0.3746  1
  Bi  Bi3  6  0.0000  0.0000  0.1964  1
  Bi  Bi4  3  0.0000  0.0000  0.0000  1
]