data_[Nd8Cd16Cu8]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2359]
_cell_length_b [17.6301]
_cell_length_c [9.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdCd2Cu]
_chemical_formula_sum '[Nd8 Cd16 Cu8]'
_cell_volume [738.9521]
_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  0.0000  0.3189  0.7500  1.0
  Nd  Nd1  4  0.0000  0.5000  0.0000  1.0
  Cd  Cd2  8  0.0000  0.2975  0.0903  1.0
  Cd  Cd3  4  0.0000  0.0464  0.2500  1.0
  Cd  Cd4  4  0.0000  0.1138  0.7500  1.0
  Cu  Cu5  8  0.0000  0.1350  0.0293  1.0
]