data_[Cs21Rb6Hg3O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [9.1880]
_cell_length_b [9.1880]
_cell_length_c [36.9744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Cs7Rb2HgO2]
_chemical_formula_sum '[Cs21 Rb6 Hg3 O6]'
_cell_volume [2703.1560]
_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  18  0.0314  0.4422  0.5664  1
  Cs  Cs1  3  0.0000  0.0000  0.0000  1
  Rb  Rb2  6  0.0000  0.0000  0.3525  1
  Hg  Hg3  3  0.0000  0.0000  0.5000  1
  O  O4  6  0.0000  0.0000  0.0798  1
]