data_[Cs6Ac2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ac  1.1000  1.9500  1.2600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4021]
_cell_length_b [8.4757]
_cell_length_c [8.5218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6357]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3AcCl6]
_chemical_formula_sum '[Cs6 Ac2 Cl12]'
_cell_volume [866.0779]
_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
[
  Cs  Cs0  4  0.2465  0.0000  0.2172  1
  Cs  Cs1  2  0.0000  0.0000  0.5000  1
  Ac  Ac2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  8  0.0748  0.2636  0.8512  1
  Cl  Cl4  4  0.2189  0.5000  0.3463  1
]