data_[Cs4Sr2Ac2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Ac  1.1000  1.9500  1.2600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [9.0382]
_cell_length_b [13.0376]
_cell_length_c [9.4024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2SrAcI6]
_chemical_formula_sum '[Cs4 Sr2 Ac2 I12]'
_cell_volume [1107.9540]
_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
[
  Cs  Cs0  4  0.0000  0.2811  0.7860  1
  Sr  Sr1  2  0.0000  0.0000  0.2404  1
  Ac  Ac2  2  0.0000  0.5000  0.2631  1
  I  I3  4  0.0000  0.2493  0.2349  1
  I  I4  4  0.2399  0.5000  0.5238  1
  I  I5  4  0.2492  0.5000  0.0080  1
]