data_[Nd20Al8Cd4]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9103]
_cell_length_b [7.9103]
_cell_length_c [15.4724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd5Al2Cd]
_chemical_formula_sum '[Nd20 Al8 Cd4]'
_cell_volume [968.1522]
_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  0.1716  0.3284  0.8538  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.1176  0.3824  0.5000  1
  Cd  Cd3  4  0.0000  0.0000  0.2500  1
]