data_[K6Li3Hg48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.5232]
_cell_length_b [10.5232]
_cell_length_c [16.8718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K2LiHg16]
_chemical_formula_sum '[K6 Li3 Hg48]'
_cell_volume [1618.0265]
_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  0.3245  1
  K  K1  3  0.0000  0.0000  0.6421  1
  Li  Li2  3  0.0000  0.0000  0.9424  1
  Hg  Hg3  18  0.0008  0.2961  0.0005  1
  Hg  Hg4  9  0.0366  0.5183  0.8612  1
  Hg  Hg5  9  0.0761  0.5381  0.1421  1
  Hg  Hg6  9  0.1075  0.5538  0.4900  1
  Hg  Hg7  3  0.0000  0.0000  0.1080  1
]