data_[Ac2Pu4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [15.2072]
_cell_length_b [8.9108]
_cell_length_c [8.9079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(PuI4)2]
_chemical_formula_sum '[Ac2 Pu4 I16]'
_cell_volume [1079.2294]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.0000  1
  Pu  Pu1  4  0.1285  0.0000  0.5615  1
  I  I2  8  0.0333  0.2260  0.7330  1
  I  I3  4  0.1710  0.5000  0.1561  1
  I  I4  4  0.2235  0.0000  0.3071  1
]