data_[Nd64Hg16Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [14.1184]
_cell_length_b [14.1184]
_cell_length_c [14.1184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Nd4HgPd]
_chemical_formula_sum '[Nd64 Hg16 Pd16]'
_cell_volume [2814.2024]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.1861  1
  Nd  Nd1  24  0.0575  0.2500  0.7500  1
  Nd  Nd2  16  0.1041  0.1041  0.3959  1
  Hg  Hg3  16  0.1651  0.1651  0.1651  1
  Pd  Pd4  16  0.1054  0.1054  0.6054  1
]