data_[K4Na16Hg4]
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 [C2/m]
_cell_length_a [16.7023]
_cell_length_b [8.4370]
_cell_length_c [6.8706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KNa4Hg]
_chemical_formula_sum '[K4 Na16 Hg4]'
_cell_volume [922.8513]
_cell_formula_units_Z [4]
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  4  0.2226  0.0000  0.1522  1.0
  Na  Na1  8  0.1086  0.2024  0.5627  1.0
  Na  Na2  4  0.0000  0.2118  0.0000  1.0
  Na  Na3  4  0.1558  0.5000  0.2281  1.0
  Hg  Hg4  4  0.0369  0.5000  0.7375  1.0
]