data_[Tb8Al20Cu16]
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 [Fmmm]
_cell_length_a [5.4839]
_cell_length_b [9.4432]
_cell_length_c [14.9406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tb2Al5Cu4]
_chemical_formula_sum '[Tb8 Al20 Cu16]'
_cell_volume [773.7079]
_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  8  0.0000  0.0000  0.1341  1
  Al  Al1  8  0.2500  0.2500  0.0000  1
  Al  Al2  8  0.2500  0.2500  0.2500  1
  Al  Al3  4  0.0000  0.0000  0.5000  1
  Cu  Cu4  16  0.0000  0.1415  0.3654  1
]