data_[Na20Tl8Bi4]
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 [I4/mcm]
_cell_length_a [8.2115]
_cell_length_b [8.2115]
_cell_length_c [14.8886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Na5Tl2Bi]
_chemical_formula_sum '[Na20 Tl8 Bi4]'
_cell_volume [1003.9124]
_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  16  0.1704  0.3296  0.3423  1.0
  Na  Na1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.1293  0.3707  0.0000  1.0
  Bi  Bi3  4  0.0000  0.0000  0.2500  1.0
]