data_[Sr4Ac4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [12.8879]
_cell_length_b [11.1742]
_cell_length_c [12.8974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrAcI5]
_chemical_formula_sum '[Sr4 Ac4 I20]'
_cell_volume [1650.3159]
_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
[
  Sr  Sr0  4  0.0000  0.4191  0.7500  1
  Ac  Ac1  4  0.2500  0.2500  0.5000  1
  I  I2  8  0.1070  0.2166  0.6487  1
  I  I3  8  0.2251  0.4615  0.0020  1
  I  I4  4  0.0000  0.2747  0.2500  1
]