data_[Nd16Ag2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8157]
_cell_length_b [5.2671]
_cell_length_c [7.1028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8AgAu2]
_chemical_formula_sum '[Nd16 Ag2 Au4]'
_cell_volume [671.3140]
_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  0.0257  0.0000  0.7770  1.0
  Nd  Nd1  4  0.0918  0.5000  0.4699  1.0
  Nd  Nd2  4  0.1702  0.5000  0.9925  1.0
  Nd  Nd3  4  0.1995  0.0000  0.3387  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1768  0.0000  0.7379  1.0
]