data_[Nd20Al8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.0915]
_cell_length_b [8.3100]
_cell_length_c [8.2121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd5(AlSn)2]
_chemical_formula_sum '[Nd20 Al8 Sn8]'
_cell_volume [1098.1230]
_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  16  0.1382  0.1803  0.3244  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.0000  0.1134  0.6144  1
  Sn  Sn3  8  0.2082  0.0000  0.0000  1
]