data_[Tl8Bi5]
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 [P31m]
_cell_length_a [8.5392]
_cell_length_b [8.5392]
_cell_length_c [20.7323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tl8Bi5]
_chemical_formula_sum '[Tl8 Bi5]'
_cell_volume [1309.2174]
_cell_formula_units_Z [1]
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  6  0.2043  0.4102  0.4037  1
  Tl  Tl1  2  0.3333  0.6667  0.6802  1
  Bi  Bi2  3  0.0000  0.2369  0.5502  1
  Bi  Bi3  2  0.3333  0.6667  0.5334  1
]