data_[Na4Ac2Hg18]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.5467]
_cell_length_b [6.1603]
_cell_length_c [6.6198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2AcHg9]
_chemical_formula_sum '[Na4 Ac2 Hg18]'
_cell_volume [665.1698]
_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  0.1792  0.5000  0.8672  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  8  0.1731  0.2459  0.3154  1
  Hg  Hg3  4  0.0068  0.5000  0.2627  1
  Hg  Hg4  4  0.1684  0.0000  0.7675  1
  Hg  Hg5  2  0.0000  0.0000  0.5000  1
]