data_[Nd20Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1573]
_cell_length_b [5.7596]
_cell_length_c [9.1112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd5Al2]
_chemical_formula_sum '[Nd20 Al8]'
_cell_volume [838.2310]
_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
[
  Nd  Nd0  8  0.1174  0.2162  0.4486  1.0
  Nd  Nd1  8  0.2257  0.3521  0.8223  1.0
  Nd  Nd2  4  0.0000  0.2359  0.7500  1.0
  Al  Al3  8  0.0840  0.2929  0.0992  1.0
]