data_[Tb1Al3Cu8]
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 [P3m1]
_cell_length_a [4.9020]
_cell_length_b [4.9020]
_cell_length_c [8.2170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TbAl3Cu8]
_chemical_formula_sum '[Tb1 Al3 Cu8]'
_cell_volume [170.9947]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4296  1.0
  Al  Al1  1  0.0000  0.0000  0.0447  1.0
  Al  Al2  1  0.6667  0.3333  0.5967  1.0
  Al  Al3  1  0.6667  0.3333  0.9466  1.0
  Cu  Cu4  3  0.1644  0.3288  0.7570  1.0
  Cu  Cu5  3  0.5025  0.0051  0.2361  1.0
  Cu  Cu6  1  0.3333  0.6667  0.5052  1.0
  Cu  Cu7  1  0.3333  0.6667  0.9979  1.0
]