data_[Cs8Ac4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ac  1.1000  1.9500  1.2600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.6818]
_cell_length_b [10.5484]
_cell_length_c [9.8412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Cs2AcI5]
_chemical_formula_sum '[Cs8 Ac4 I20]'
_cell_volume [1627.9024]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  8  0.1707  0.5066  0.4319  1
  Ac  Ac1  4  0.0054  0.7500  0.9276  1
  I  I2  8  0.0688  0.0448  0.8319  1
  I  I3  4  0.0105  0.7500  0.5876  1
  I  I4  4  0.1818  0.7500  0.1115  1
  I  I5  4  0.1999  0.2500  0.1481  1
]