data_[Nd16Al2Cd4]
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 [C2/m]
_cell_length_a [18.4804]
_cell_length_b [5.3605]
_cell_length_c [7.3963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8AlCd2]
_chemical_formula_sum '[Nd16 Al2 Cd4]'
_cell_volume [693.1182]
_cell_formula_units_Z [2]
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  0.0190  0.0000  0.7703  1.0
  Nd  Nd1  4  0.0902  0.5000  0.4539  1.0
  Nd  Nd2  4  0.1639  0.5000  0.9600  1.0
  Nd  Nd3  4  0.1939  0.0000  0.2896  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd5  4  0.1816  0.0000  0.7025  1.0
]