data_[Tb2Nd12Al2]
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 [C2/m]
_cell_length_a [6.7662]
_cell_length_b [11.5329]
_cell_length_c [6.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbNd6Al]
_chemical_formula_sum '[Tb2 Nd12 Al2]'
_cell_volume [525.7493]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Nd  Nd1  8  0.1254  0.2154  0.7643  1.0
  Nd  Nd2  4  0.2496  0.0000  0.4384  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
]