data_[K6Cd48Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.4307]
_cell_length_b [10.4307]
_cell_length_c [15.2553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [K2Cd16Hg]
_chemical_formula_sum '[K6 Cd48 Hg3]'
_cell_volume [1437.3965]
_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  0.3379  1
  K  K1  3  0.0000  0.0000  0.6609  1
  Cd  Cd2  18  0.0002  0.2986  0.9996  1
  Cd  Cd3  9  0.0043  0.5021  0.4993  1
  Cd  Cd4  9  0.0057  0.5029  0.1503  1
  Cd  Cd5  9  0.1697  0.3394  0.1823  1
  Cd  Cd6  3  0.0000  0.0000  0.9040  1
  Hg  Hg7  3  0.0000  0.0000  0.1039  1
]