data_[Nd8Al12Pd20]
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 [Ibam]
_cell_length_a [10.7304]
_cell_length_b [12.1080]
_cell_length_c [5.9045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd2Al3Pd5]
_chemical_formula_sum '[Nd8 Al12 Pd20]'
_cell_volume [767.1400]
_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  0.2263  0.3612  0.5000  1.0
  Al  Al1  8  0.0977  0.3587  0.0000  1.0
  Al  Al2  4  0.0000  0.0000  0.2500  1.0
  Pd  Pd3  8  0.0000  0.2164  0.2500  1.0
  Pd  Pd4  8  0.1742  0.0933  0.5000  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2500  1.0
]