data_[Na12Tl20Bi8]
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 [11.9631]
_cell_length_b [15.7951]
_cell_length_c [6.4835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na3Tl5Bi2]
_chemical_formula_sum '[Na12 Tl20 Bi8]'
_cell_volume [1224.9051]
_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  0.1304  0.3405  0.6038  1
  Na  Na1  4  0.0000  0.0738  0.2500  1
  Tl  Tl2  8  0.1291  0.1429  0.6781  1
  Tl  Tl3  8  0.2403  0.4584  0.9600  1
  Tl  Tl4  4  0.0000  0.4613  0.2500  1
  Bi  Bi5  8  0.1257  0.2658  0.1156  1
]