data_[Tb20Tl8Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.6647]
_cell_length_b [8.1004]
_cell_length_c [8.1540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(TlTe)2]
_chemical_formula_sum '[Tb20 Tl8 Te8]'
_cell_volume [1034.6532]
_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  16  0.1376  0.1678  0.3356  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.0000  0.1335  0.6311  1.0
  Te  Te3  8  0.2009  0.0000  0.0000  1.0
]