data_[Cs4K2Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.5767]
_cell_length_b [6.5767]
_cell_length_c [22.1755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cs2KHg9]
_chemical_formula_sum '[Cs4 K2 Hg18]'
_cell_volume [830.6527]
_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  0.3333  0.6667  0.5386  1
  K  K1  2  0.3333  0.6667  0.7500  1
  Hg  Hg2  12  0.1676  0.3352  0.1283  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.2500  1
  Hg  Hg5  2  0.3333  0.6667  0.2500  1
]