data_[Rb6Ba6Hg45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.8973]
_cell_length_b [10.8973]
_cell_length_c [18.5129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2Ba2Hg15]
_chemical_formula_sum '[Rb6 Ba6 Hg45]'
_cell_volume [1903.8842]
_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
[
  Rb  Rb0  6  0.0000  0.0000  0.3456  1.0
  Ba  Ba1  6  0.0000  0.0000  0.1031  1.0
  Hg  Hg2  18  0.0000  0.2950  0.0000  1.0
  Hg  Hg3  18  0.0107  0.5054  0.1335  1.0
  Hg  Hg4  9  0.0000  0.5000  0.5000  1.0
]