data_[Tb16Tl4Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9453]
_cell_length_b [5.1373]
_cell_length_c [6.7894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Tl2Au]
_chemical_formula_sum '[Tb16 Tl4 Au2]'
_cell_volume [648.0386]
_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  4  0.0161  0.0000  0.7690  1.0
  Tb  Tb1  4  0.0910  0.5000  0.4661  1.0
  Tb  Tb2  4  0.1525  0.5000  0.9884  1.0
  Tb  Tb3  4  0.2074  0.0000  0.3178  1.0
  Tl  Tl4  4  0.1850  0.0000  0.7600  1.0
  Au  Au5  2  0.0000  0.5000  0.0000  1.0
]