data_[Nd16Al2Pd4]
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/m]
_cell_length_a [9.0441]
_cell_length_b [13.9359]
_cell_length_c [5.4636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8AlPd2]
_chemical_formula_sum '[Nd16 Al2 Pd4]'
_cell_volume [663.8155]
_cell_formula_units_Z [2]
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  0.1942  0.1232  0.0736  1
  Nd  Nd1  4  0.0000  0.2446  0.5000  1
  Nd  Nd2  4  0.1197  0.5000  0.3187  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  4  0.0000  0.3107  0.0000  1
]