data_[Na4Ac2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [14.8146]
_cell_length_b [5.0078]
_cell_length_c [9.3276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2AcCl6]
_chemical_formula_sum '[Na4 Ac2 Cl12]'
_cell_volume [564.6779]
_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
[
  Na  Na0  4  0.1724  0.0000  0.1024  1
  Ac  Ac1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  4  0.0368  0.0000  0.2217  1
  Cl  Cl3  4  0.1250  0.5000  0.5278  1
  Cl  Cl4  4  0.2259  0.0000  0.8400  1
]