data_[Ac12Sb2Ru4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8732]
_cell_length_b [13.6173]
_cell_length_c [8.9236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6SbRu2I3]
_chemical_formula_sum '[Ac12 Sb2 Ru4 I6]'
_cell_volume [913.9779]
_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
[
  Ac  Ac0  8  0.2471  0.1839  0.1914  1
  Ac  Ac1  4  0.1964  0.5000  0.1903  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  4  0.0000  0.3328  0.0000  1
  I  I4  4  0.0000  0.1603  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]