data_[Cs3K36Rb6Hg9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.9371]
_cell_length_b [12.9371]
_cell_length_c [27.2572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CsK12Rb2Hg3]
_chemical_formula_sum '[Cs3 K36 Rb6 Hg9]'
_cell_volume [3950.7975]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.0000  1.0
  K  K1  18  0.0683  0.5342  0.8123  1.0
  K  K2  18  0.0842  0.5421  0.3766  1.0
  Rb  Rb3  6  0.0000  0.0000  0.4204  1.0
  Hg  Hg4  9  0.0000  0.5000  0.5000  1.0
]