data_[Na8Tl4Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8575]
_cell_length_b [9.2321]
_cell_length_c [9.2691]
_cell_angle_alpha [107.6057]
_cell_angle_beta [108.2374]
_cell_angle_gamma [102.6793]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na4Tl2Bi]
_chemical_formula_sum '[Na8 Tl4 Bi2]'
_cell_volume [425.5736]
_cell_formula_units_Z [2]
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
[
  Na  Na0  1  0.2235  0.7269  0.8747  1
  Na  Na1  1  0.2699  0.0505  0.3996  1
  Na  Na2  1  0.3062  0.3794  0.9359  1
  Na  Na3  1  0.4836  0.3919  0.3351  1
  Na  Na4  1  0.6197  0.7287  0.6713  1
  Na  Na5  1  0.6558  0.0605  0.1839  1
  Na  Na6  1  0.8547  0.7175  0.0782  1
  Na  Na7  1  0.8671  0.0560  0.6316  1
  Tl  Tl8  1  0.0413  0.7111  0.4774  1
  Tl  Tl9  1  0.0851  0.3797  0.5435  1
  Tl  Tl10  1  0.6790  0.3915  0.7258  1
  Tl  Tl11  1  0.8892  0.3777  0.1134  1
  Bi  Bi12  1  0.0619  0.0520  0.0085  1
  Bi  Bi13  1  0.4631  0.7267  0.2712  1
]