data_[K6Na4Hg6]
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 [Immm]
_cell_length_a [4.5812]
_cell_length_b [5.7334]
_cell_length_c [23.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3Na2Hg3]
_chemical_formula_sum '[K6 Na4 Hg6]'
_cell_volume [611.5836]
_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
[
  K  K0  4  0.0000  0.0000  0.3779  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Na  Na2  4  0.0000  0.5000  0.2528  1.0
  Hg  Hg3  4  0.0000  0.0000  0.1471  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
]