data_[Pu36Cu3Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.7313]
_cell_length_b [10.7313]
_cell_length_c [11.5082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu12CuRh6]
_chemical_formula_sum '[Pu36 Cu3 Rh18]'
_cell_volume [1147.7416]
_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
[
  Pu  Pu0  18  0.0542  0.8179  0.4121  1
  Pu  Pu1  18  0.0564  0.1852  0.7898  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Rh  Rh3  18  0.0582  0.4553  0.7112  1
]