data_[K1Na6Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [9.1211]
_cell_length_b [9.1211]
_cell_length_c [4.8282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [K(Na3Hg2)2]
_chemical_formula_sum '[K1 Na6 Hg4]'
_cell_volume [347.8691]
_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
[
  K  K0  1  0.0000  0.0000  0.0000  1
  Na  Na1  3  0.2001  0.4003  0.5000  1
  Na  Na2  3  0.5306  0.0613  0.0000  1
  Hg  Hg3  3  0.4132  0.2066  0.5000  1
  Hg  Hg4  1  0.3333  0.6667  0.0000  1
]