data_[Na5Ac1Hg6]
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 [P2/m]
_cell_length_a [5.5285]
_cell_length_b [7.4474]
_cell_length_c [8.3486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na5AcHg6]
_chemical_formula_sum '[Na5 Ac1 Hg6]'
_cell_volume [328.8389]
_cell_formula_units_Z [1]
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  2  0.3563  0.0000  0.6522  1
  Na  Na1  2  0.3970  0.5000  0.6772  1
  Na  Na2  1  0.0000  0.5000  0.0000  1
  Ac  Ac3  1  0.0000  0.0000  0.0000  1
  Hg  Hg4  4  0.1065  0.2735  0.3400  1
  Hg  Hg5  2  0.5000  0.2560  0.0000  1
]