data_[Rb2Pu4I16]
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 [C2/m]
_cell_length_a [16.4150]
_cell_length_b [8.2724]
_cell_length_c [9.6713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb(PuI4)2]
_chemical_formula_sum '[Rb2 Pu4 I16]'
_cell_volume [1263.0377]
_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  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.1978  0.0000  0.6668  1
  I  I2  8  0.0963  0.2535  0.7469  1
  I  I3  4  0.1286  0.5000  0.1486  1
  I  I4  4  0.1869  0.0000  0.3568  1
]