data_[Nd9Y18Pu3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Pu  1.2800  1.7500  0.9675
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [9.9230]
_cell_length_b [9.9230]
_cell_length_c [11.6889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Nd3Y6Pu]
_chemical_formula_sum '[Nd9 Y18 Pu3]'
_cell_volume [996.7648]
_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  3  0.0000  0.0000  0.1220  1
  Nd  Nd1  3  0.0000  0.0000  0.3843  1
  Nd  Nd2  3  0.0000  0.0000  0.6364  1
  Y  Y3  9  0.0027  0.3228  0.9101  1
  Y  Y4  9  0.0061  0.6703  0.4149  1
  Pu  Pu5  3  0.0000  0.0000  0.8822  1
]