data_[Nd4Cd12Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2526]
_cell_length_b [4.4134]
_cell_length_c [8.0212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdCd3Au2]
_chemical_formula_sum '[Nd4 Cd12 Au8]'
_cell_volume [564.0254]
_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  4  0.1181  0.0000  0.1641  1.0
  Cd  Cd1  4  0.0635  0.0000  0.6788  1.0
  Cd  Cd2  4  0.1466  0.5000  0.4916  1.0
  Cd  Cd3  4  0.1882  0.5000  0.8995  1.0
  Au  Au4  4  0.0104  0.5000  0.8333  1.0
  Au  Au5  4  0.2404  0.0000  0.7105  1.0
]