data_[K6Tl3Hg48]
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 [R3m]
_cell_length_a [10.3111]
_cell_length_b [10.3111]
_cell_length_c [18.4598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K2TlHg16]
_chemical_formula_sum '[K6 Tl3 Hg48]'
_cell_volume [1699.6873]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3087  1
  K  K1  3  0.0000  0.0000  0.6869  1
  Tl  Tl2  3  0.0000  0.0000  0.9092  1
  Hg  Hg3  18  0.0003  0.2981  0.0003  1
  Hg  Hg4  9  0.0289  0.5144  0.1261  1
  Hg  Hg5  9  0.1697  0.3394  0.8325  1
  Hg  Hg6  9  0.1868  0.3736  0.2068  1
  Hg  Hg7  3  0.0000  0.0000  0.0971  1
]