data_[Rb3Pu3Fe3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pu  1.2800  1.7500  0.9675
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.6794]
_cell_length_b [9.6794]
_cell_length_c [3.0550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [RbPuFe]
_chemical_formula_sum '[Rb3 Pu3 Fe3]'
_cell_volume [247.8781]
_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
[
  Rb  Rb0  3  0.0000  0.7161  0.0000  1
  Pu  Pu1  3  0.0000  0.3923  0.5000  1
  Fe  Fe2  2  0.3333  0.6667  0.0000  1
  Fe  Fe3  1  0.0000  0.0000  0.5000  1
]