data_[Nd4Sn4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2365]
_cell_length_b [5.0924]
_cell_length_c [9.6388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdSnAu3]
_chemical_formula_sum '[Nd4 Sn4 Au12]'
_cell_volume [453.3714]
_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  0.2332  0.2500  0.9939  1.0
  Sn  Sn1  4  0.0933  0.2500  0.6582  1.0
  Au  Au2  4  0.0854  0.2500  0.3694  1.0
  Au  Au3  4  0.1038  0.7500  0.8506  1.0
  Au  Au4  4  0.1077  0.7500  0.1424  1.0
]