data_[Nd6B9Pt36Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  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 [7.9727]
_cell_length_b [7.9727]
_cell_length_c [17.7448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd2B3Pt12Au]
_chemical_formula_sum '[Nd6 B9 Pt36 Au3]'
_cell_volume [976.8052]
_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  0.3973  1
  B  B1  9  0.0000  0.5000  0.5000  1
  Pt  Pt2  18  0.0175  0.5087  0.3799  1
  Pt  Pt3  18  0.0583  0.5291  0.8535  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]