data_[K9Tl3Hg24]
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 [6.3534]
_cell_length_b [6.3534]
_cell_length_c [32.2043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K3TlHg8]
_chemical_formula_sum '[K9 Tl3 Hg24]'
_cell_volume [1125.7881]
_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  0.3758  1.0
  K  K1  3  0.0000  0.0000  0.5047  1.0
  K  K2  3  0.0000  0.0000  0.9946  1.0
  Tl  Tl3  3  0.0000  0.0000  0.8734  1.0
  Hg  Hg4  9  0.0004  0.5002  0.4374  1.0
  Hg  Hg5  9  0.0009  0.5005  0.9380  1.0
  Hg  Hg6  3  0.0000  0.0000  0.1876  1.0
  Hg  Hg7  3  0.0000  0.0000  0.6877  1.0
]