data_[Nd16Ag2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7565]
_cell_length_b [5.2940]
_cell_length_c [6.9739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8AgPd2]
_chemical_formula_sum '[Nd16 Ag2 Pd4]'
_cell_volume [654.9790]
_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  4  0.0284  0.0000  0.7823  1.0
  Nd  Nd1  4  0.0938  0.5000  0.4773  1.0
  Nd  Nd2  4  0.1754  0.5000  0.0069  1.0
  Nd  Nd3  4  0.2007  0.0000  0.3445  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.1717  0.0000  0.7376  1.0
]