data_[Tb9Al3Cu24]
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 [R3m]
_cell_length_a [5.1595]
_cell_length_b [5.1595]
_cell_length_c [25.2734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb3AlCu8]
_chemical_formula_sum '[Tb9 Al3 Cu24]'
_cell_volume [582.6637]
_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  3  0.0000  0.0000  0.3791  1.0
  Tb  Tb1  3  0.0000  0.0000  0.5048  1.0
  Tb  Tb2  3  0.0000  0.0000  0.9929  1.0
  Al  Al3  3  0.0000  0.0000  0.8681  1.0
  Cu  Cu4  9  0.0028  0.5014  0.4396  1.0
  Cu  Cu5  9  0.0054  0.5027  0.9368  1.0
  Cu  Cu6  3  0.0000  0.0000  0.1887  1.0
  Cu  Cu7  3  0.0000  0.0000  0.6872  1.0
]