data_[Rb4Pu2I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3219]
_cell_length_b [9.0494]
_cell_length_c [14.2906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2PuI6]
_chemical_formula_sum '[Rb4 Pu2 I12]'
_cell_volume [885.9836]
_cell_formula_units_Z [2]
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  4  0.2247  0.5827  0.2519  1
  Pu  Pu1  2  0.5000  0.0000  0.5000  1
  I  I2  4  0.1610  0.6813  0.9589  1
  I  I3  4  0.2791  0.2166  0.9622  1
  I  I4  4  0.3303  0.5115  0.7504  1
]