data_[Nd20Cu8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.2688]
_cell_length_b [7.2688]
_cell_length_c [16.0727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd5Cu2Pd]
_chemical_formula_sum '[Nd20 Cu8 Pd4]'
_cell_volume [849.2100]
_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  16  0.1693  0.3307  0.1498  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.1197  0.3803  0.5000  1
  Pd  Pd3  4  0.0000  0.0000  0.2500  1
]