data_[Nd8Al16Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.7689]
_cell_length_b [6.8773]
_cell_length_c [5.8158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdAl2Cu]
_chemical_formula_sum '[Nd8 Al16 Cu8]'
_cell_volume [630.7137]
_cell_formula_units_Z [8]
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  0.1057  0.2500  0.7227  1
  Nd  Nd1  4  0.1394  0.7500  0.5115  1
  Al  Al2  8  0.0412  0.0564  0.2127  1
  Al  Al3  8  0.2138  0.5557  0.0165  1
  Cu  Cu4  4  0.0737  0.7500  0.9969  1
  Cu  Cu5  4  0.1784  0.2500  0.2450  1
]