data_[Nd16Sn4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.8874]
_cell_length_b [15.6411]
_cell_length_c [7.1824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.8411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nd4SnPd2]
_chemical_formula_sum '[Nd16 Sn4 Pd8]'
_cell_volume [788.4659]
_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  4  0.1651  0.6738  0.2357  1.0
  Nd  Nd1  4  0.4044  0.0278  0.4034  1.0
  Nd  Nd2  4  0.4449  0.4603  0.2805  1.0
  Nd  Nd3  4  0.4835  0.2561  0.5782  1.0
  Sn  Sn4  4  0.1629  0.1361  0.5750  1.0
  Pd  Pd5  4  0.1869  0.4118  0.3830  1.0
  Pd  Pd6  4  0.2723  0.1673  0.0441  1.0
]