data_[Ac8H4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0967]
_cell_length_b [16.0049]
_cell_length_c [21.9729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac2HI5]
_chemical_formula_sum '[Ac8 H4 I20]'
_cell_volume [1440.6885]
_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
[
  Ac  Ac0  8  0.0000  0.2458  0.6591  1
  H  H1  4  0.0000  0.2133  0.2500  1
  I  I2  8  0.0000  0.1038  0.1218  1
  I  I3  8  0.0000  0.3490  0.0664  1
  I  I4  4  0.0000  0.3953  0.2500  1
]