data_[Tl8Zn16Bi16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [11.3824]
_cell_length_b [13.1278]
_cell_length_c [8.0154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Tl(ZnBi)2]
_chemical_formula_sum '[Tl8 Zn16 Bi16]'
_cell_volume [1197.7140]
_cell_formula_units_Z [8]
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  8  0.2500  0.2500  0.2530  1.0
  Zn  Zn1  8  0.0000  0.1533  0.8723  1.0
  Zn  Zn2  8  0.1247  0.0000  0.3482  1.0
  Bi  Bi3  8  0.0000  0.1585  0.5207  1.0
  Bi  Bi4  8  0.1502  0.0000  0.0076  1.0
]