data_[Tb16Tl10Ag2]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.3244]
_cell_length_b [9.3244]
_cell_length_c [9.3952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Tb8Tl5Ag]
_chemical_formula_sum '[Tb16 Tl10 Ag2]'
_cell_volume [816.8642]
_cell_formula_units_Z [2]
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  8  0.0689  0.8173  0.7978  1.0
  Tb  Tb1  8  0.0778  0.6770  0.4450  1.0
  Tl  Tl2  8  0.1246  0.7494  0.1214  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag4  2  0.0000  0.5000  0.7500  1.0
]