data_[Nd4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.8181]
_cell_length_b [5.3651]
_cell_length_c [10.6393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdPd6]
_chemical_formula_sum '[Nd4 Pd24]'
_cell_volume [503.3475]
_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  0.2462  0.7500  0.0590  1
  Pd  Pd1  8  0.0606  0.5056  0.3002  1
  Pd  Pd2  4  0.0588  0.2500  0.0737  1
  Pd  Pd3  4  0.1076  0.7500  0.5199  1
  Pd  Pd4  4  0.1631  0.2500  0.8380  1
  Pd  Pd5  4  0.1858  0.7500  0.7702  1
]