data_[Nd8Al4Cu8]
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 [C2/c]
_cell_length_a [9.8505]
_cell_length_b [5.7200]
_cell_length_c [7.8999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd2AlCu2]
_chemical_formula_sum '[Nd8 Al4 Cu8]'
_cell_volume [431.6266]
_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  8  0.1499  0.3610  0.1527  1.0
  Al  Al1  4  0.0000  0.1443  0.7500  1.0
  Cu  Cu2  8  0.1329  0.1336  0.4992  1.0
]