data_[Cs1Na4Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [8.7373]
_cell_length_b [8.7373]
_cell_length_c [5.1783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Cs(Na2Hg3)2]
_chemical_formula_sum '[Cs1 Na4 Hg6]'
_cell_volume [342.3451]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.0000  1
  Na  Na1  3  0.1196  0.7101  0.5000  1
  Na  Na2  1  0.6667  0.3333  0.0000  1
  Hg  Hg3  3  0.0962  0.4806  0.0000  1
  Hg  Hg4  3  0.4101  0.1242  0.5000  1
]