data_[K6Tl4Hg8]
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 [12.6265]
_cell_length_b [5.4370]
_cell_length_c [10.2254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(TlHg2)2]
_chemical_formula_sum '[K6 Tl4 Hg8]'
_cell_volume [630.6655]
_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  0.1387  0.5000  0.6872  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1574  0.5000  0.3251  1.0
  Hg  Hg3  4  0.0850  0.0000  0.4157  1.0
  Hg  Hg4  4  0.2302  0.5000  0.0649  1.0
]