data_[K16Tl4Hg4]
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/c]
_cell_length_a [10.8931]
_cell_length_b [16.5152]
_cell_length_c [6.8229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K4TlHg]
_chemical_formula_sum '[K16 Tl4 Hg4]'
_cell_volume [1148.3064]
_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  8  0.1208  0.1825  0.0729  1.0
  K  K1  8  0.1942  0.4260  0.3440  1.0
  Tl  Tl2  4  0.0000  0.3769  0.7500  1.0
  Hg  Hg3  4  0.0000  0.0005  0.7500  1.0
]