data_[Nd4Al8Ag40]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.4259]
_cell_length_b [13.4499]
_cell_length_c [13.5415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd(AlAg5)2]
_chemical_formula_sum '[Nd4 Al8 Ag40]'
_cell_volume [988.2304]
_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  4  0.0000  0.0000  0.0000  1
  Al  Al1  8  0.2500  0.2500  0.0000  1
  Ag  Ag2  16  0.0000  0.1109  0.3948  1
  Ag  Ag3  16  0.0000  0.1780  0.1694  1
  Ag  Ag4  8  0.2500  0.0000  0.2500  1
]