data_[Na8Tl24Bi4]
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 [C2/c]
_cell_length_a [13.0505]
_cell_length_b [11.9154]
_cell_length_c [8.6919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Tl6Bi]
_chemical_formula_sum '[Na8 Tl24 Bi4]'
_cell_volume [1104.7713]
_cell_formula_units_Z [4]
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  8  0.1981  0.4086  0.9324  1
  Tl  Tl1  8  0.0133  0.3708  0.4494  1
  Tl  Tl2  8  0.1008  0.0817  0.1853  1
  Tl  Tl3  8  0.2128  0.1701  0.6286  1
  Bi  Bi4  4  0.0000  0.1949  0.7500  1
]