data_[Ac12Pd2Rh4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6341]
_cell_length_b [13.2205]
_cell_length_c [9.0465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6PdRh2I3]
_chemical_formula_sum '[Ac12 Pd2 Rh4 I6]'
_cell_volume [876.2198]
_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  0.2328  0.1708  0.1860  1
  Ac  Ac1  4  0.2202  0.5000  0.1858  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Rh  Rh3  4  0.0000  0.3333  0.0000  1
  I  I4  4  0.0000  0.1669  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]