data_[Nd20Cd4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0238]
_cell_length_b [8.0238]
_cell_length_c [13.3179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd5CdNi2]
_chemical_formula_sum '[Nd20 Cd4 Ni8]'
_cell_volume [857.4212]
_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  0.1601  0.3399  0.3632  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.0000  0.2500  1.0
  Ni  Ni3  8  0.1209  0.3791  0.0000  1.0
]