data_[Ac8H4I8]
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 [C2/m]
_cell_length_a [12.9812]
_cell_length_b [6.6584]
_cell_length_c [9.7137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac2HI2]
_chemical_formula_sum '[Ac8 H4 I8]'
_cell_volume [658.2744]
_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  4  0.0429  0.5000  0.8207  1
  Ac  Ac1  4  0.1774  0.0000  0.5809  1
  H  H2  4  0.1178  0.5000  0.1215  1
  I  I3  4  0.0983  0.0000  0.8627  1
  I  I4  4  0.1946  0.5000  0.6325  1
]