data_[K2Tl4Hg16]
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 [8.9378]
_cell_length_b [14.7787]
_cell_length_c [5.9768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3563]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(TlHg4)2]
_chemical_formula_sum '[K2 Tl4 Hg16]'
_cell_volume [771.1833]
_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  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.0000  0.2548  0.0000  1.0
  Hg  Hg2  8  0.2401  0.1023  0.0822  1.0
  Hg  Hg3  4  0.0000  0.3097  0.5000  1.0
  Hg  Hg4  4  0.1025  0.5000  0.2936  1.0
]