data_[Tb6Al3Zn36Ni9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9750]
_cell_length_b [8.9750]
_cell_length_c [12.5878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Al(Zn4Ni)3]
_chemical_formula_sum '[Tb6 Al3 Zn36 Ni9]'
_cell_volume [878.1160]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2455  1
  Al  Al1  3  0.0000  0.0000  0.0000  1
  Zn  Zn2  18  0.0103  0.5051  0.7037  1
  Zn  Zn3  18  0.0559  0.5280  0.1000  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]