data_[Ac2Al4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3422]
_cell_length_b [8.6302]
_cell_length_c [6.8341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac(AlCl4)2]
_chemical_formula_sum '[Ac2 Al4 Cl16]'
_cell_volume [831.6115]
_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
  Al  Al1  4  0.1903  0.0000  0.6548  1
  Cl  Cl2  8  0.1112  0.1933  0.7558  1
  Cl  Cl3  4  0.1630  0.5000  0.2275  1
  Cl  Cl4  4  0.1710  0.0000  0.3242  1
]