data_[Tl24Bi16]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [12.3011]
_cell_length_b [18.3403]
_cell_length_c [5.8821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Tl3Bi2]
_chemical_formula_sum '[Tl24 Bi16]'
_cell_volume [1327.0454]
_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  16  0.0308  0.4019  0.0923  1.0
  Tl  Tl1  8  0.0000  0.0000  0.0752  1.0
  Bi  Bi2  16  0.0268  0.2876  0.6201  1.0
]