data_[Nd4Al12Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3841]
_cell_length_b [4.2688]
_cell_length_c [11.0666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdAl3Pd]
_chemical_formula_sum '[Nd4 Al12 Pd4]'
_cell_volume [396.0697]
_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  0.1851  0.2500  0.9869  1.0
  Al  Al1  4  0.0632  0.2500  0.4126  1.0
  Al  Al2  4  0.1188  0.7500  0.2072  1.0
  Al  Al3  4  0.1415  0.7500  0.7800  1.0
  Pd  Pd4  4  0.0967  0.2500  0.6445  1.0
]