data_[Nd12Ag4Au4]
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 [P2_1/c]
_cell_length_a [7.2669]
_cell_length_b [7.6021]
_cell_length_c [10.4180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd3AgAu]
_chemical_formula_sum '[Nd12 Ag4 Au4]'
_cell_volume [573.5972]
_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  0.1772  0.5250  0.7726  1.0
  Nd  Nd1  4  0.2664  0.5302  0.4118  1.0
  Nd  Nd2  4  0.3358  0.1323  0.6022  1.0
  Ag  Ag3  4  0.0504  0.6904  0.0468  1.0
  Au  Au4  4  0.4546  0.7423  0.1383  1.0
]