data_[Nd6Al9Pt36Au3]
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
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2926]
_cell_length_b [8.2926]
_cell_length_c [18.4961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2Al3Pt12Au]
_chemical_formula_sum '[Nd6 Al9 Pt36 Au3]'
_cell_volume [1101.5224]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3898  1
  Al  Al1  9  0.0000  0.5000  0.5000  1
  Pt  Pt2  18  0.0194  0.5097  0.8753  1
  Pt  Pt3  18  0.0204  0.5102  0.3694  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]