data_[K6Tl8Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9998]
_cell_length_b [5.4452]
_cell_length_c [10.3493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(Tl2Hg)2]
_chemical_formula_sum '[K6 Tl8 Hg4]'
_cell_volume [686.1689]
_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  0.1225  0.5000  0.3746  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0816  0.0000  0.6491  1.0
  Tl  Tl3  4  0.1983  0.5000  0.0572  1.0
  Hg  Hg4  4  0.2063  0.5000  0.7514  1.0
]