data_[Tb8Tl4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3550]
_cell_length_b [4.1886]
_cell_length_c [14.4235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tb2TlBi]
_chemical_formula_sum '[Tb8 Tl4 Bi4]'
_cell_volume [504.7567]
_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
[
  Tb  Tb0  4  0.1888  0.7500  0.2372  1
  Tb  Tb1  4  0.1952  0.2500  0.9942  1
  Tl  Tl2  4  0.0453  0.2500  0.5841  1
  Bi  Bi3  4  0.0698  0.7500  0.8416  1
]