data_[Ac20Co8I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.9846]
_cell_length_b [8.3889]
_cell_length_c [8.3318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac5(CoI)2]
_chemical_formula_sum '[Ac20 Co8 I8]'
_cell_volume [1257.0217]
_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  16  0.1058  0.1551  0.1537  1
  Ac  Ac1  4  0.0000  0.0000  0.5000  1
  Co  Co2  8  0.0000  0.1454  0.8535  1
  I  I3  8  0.2118  0.0000  0.5000  1
]