data_[Tb8Nd4Al8]
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 [Cmcm]
_cell_length_a [3.6915]
_cell_length_b [27.1696]
_cell_length_c [5.2398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tb2NdAl2]
_chemical_formula_sum '[Tb8 Nd4 Al8]'
_cell_volume [525.5364]
_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  0.0486  0.2500  1
  Tb  Tb1  4  0.0000  0.2341  0.2500  1
  Nd  Nd2  4  0.0000  0.1425  0.7500  1
  Al  Al3  4  0.0000  0.3577  0.7500  1
  Al  Al4  4  0.0000  0.4544  0.2500  1
]