data_[Tb4Nd8Al12]
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 [Cmmm]
_cell_length_a [5.2118]
_cell_length_b [15.6554]
_cell_length_c [7.3981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TbNd2Al3]
_chemical_formula_sum '[Tb4 Nd8 Al12]'
_cell_volume [603.6375]
_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  0.3327  0.0000  1
  Nd  Nd1  4  0.0000  0.3353  0.5000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Nd  Nd3  2  0.0000  0.0000  0.5000  1
  Al  Al4  8  0.0000  0.1692  0.2416  1
  Al  Al5  4  0.0000  0.5000  0.2411  1
]