data_[Ac2Cd4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6537]
_cell_length_b [13.1418]
_cell_length_c [6.9896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(CdI4)2]
_chemical_formula_sum '[Ac2 Cd4 I16]'
_cell_volume [1160.1656]
_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  2  0.0000  0.0000  0.0000  1
  Cd  Cd1  4  0.2487  0.0000  0.6619  1
  I  I2  8  0.1273  0.1723  0.7623  1
  I  I3  4  0.0289  0.5000  0.2553  1
  I  I4  4  0.2256  0.0000  0.2540  1
]