data_[Nd36Pt18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.8932]
_cell_length_b [12.8932]
_cell_length_c [12.1569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12Pt6Rh]
_chemical_formula_sum '[Nd36 Pt18 Rh3]'
_cell_volume [1750.1495]
_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  18  0.0284  0.8117  0.3943  1.0
  Nd  Nd1  18  0.0423  0.8362  0.8853  1.0
  Pt  Pt2  18  0.0458  0.7815  0.6478  1.0
  Rh  Rh3  3  0.0000  0.0000  0.0000  1.0
]