data_[Nd8Al4Pd8]
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 [C2/c]
_cell_length_a [10.0195]
_cell_length_b [5.7464]
_cell_length_c [8.1264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2AlPd2]
_chemical_formula_sum '[Nd8 Al4 Pd8]'
_cell_volume [452.9328]
_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  0.1499  0.3604  0.1497  1.0
  Al  Al1  4  0.0000  0.1487  0.7500  1.0
  Pd  Pd2  8  0.1288  0.1308  0.5014  1.0
]