data_[Tb9Al21Cu6]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5048]
_cell_length_b [5.5048]
_cell_length_c [25.5401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3Al7Cu2]
_chemical_formula_sum '[Tb9 Al21 Cu6]'
_cell_volume [670.2606]
_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  0.1419  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0000  1.0
  Al  Al2  18  0.0054  0.5027  0.9219  1.0
  Al  Al3  3  -0.0000  -0.0000  0.5000  1.0
  Cu  Cu4  6  0.0000  0.0000  0.3350  1.0
]