data_[Ac12Ge4Pd2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8925]
_cell_length_b [4.5278]
_cell_length_c [9.8912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac6Ge2PdI3]
_chemical_formula_sum '[Ac12 Ge4 Pd2 I6]'
_cell_volume [898.8511]
_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  4  0.0093  0.0000  0.2149  1
  Ac  Ac1  4  0.1546  0.5000  0.1091  1
  Ac  Ac2  4  0.1769  0.5000  0.5573  1
  Ge  Ge3  4  0.1659  0.0000  0.3345  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  I  I5  4  0.1710  0.0000  0.8317  1
  I  I6  2  0.0000  0.5000  0.5000  1
]