data_[Tb8Nd4Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3343]
_cell_length_b [6.9730]
_cell_length_c [12.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tb2NdAl]
_chemical_formula_sum '[Tb8 Nd4 Al4]'
_cell_volume [447.8291]
_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  4  0.0000  0.2359  0.4105  1.0
  Tb  Tb1  2  0.0000  0.0000  0.1755  1.0
  Tb  Tb2  2  0.5000  0.0000  0.8233  1.0
  Nd  Nd3  4  0.5000  0.2350  0.5884  1.0
  Al  Al4  2  0.0000  0.0000  0.6706  1.0
  Al  Al5  2  0.5000  0.0000  0.3327  1.0
]