data_[K6Cd9In3Hg36]
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
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.9770]
_cell_length_b [6.9770]
_cell_length_c [38.6258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Cd3InHg12]
_chemical_formula_sum '[K6 Cd9 In3 Hg36]'
_cell_volume [1628.3566]
_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  6  0.0000  0.0000  0.3609  1
  Cd  Cd1  9  0.0000  0.5000  0.5000  1
  In  In2  3  0.0000  0.0000  0.0000  1
  Hg  Hg3  18  0.0173  0.5087  0.3895  1
  Hg  Hg4  18  0.0411  0.5206  0.1140  1
]