data_[K36Rb6Na3Hg9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.3205]
_cell_length_b [13.3205]
_cell_length_c [24.1966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K12Rb2NaHg3]
_chemical_formula_sum '[K36 Rb6 Na3 Hg9]'
_cell_volume [3718.1605]
_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  18  0.0343  0.5172  0.3583  1.0
  K  K1  18  0.0787  0.5393  0.8304  1.0
  Rb  Rb2  6  0.0000  0.0000  0.4144  1.0
  Na  Na3  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  9  0.0000  0.5000  0.5000  1.0
]