data_[Cs18Rb6Hg36]
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
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [15.1879]
_cell_length_b [15.1879]
_cell_length_c [14.0077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Cs3RbHg6]
_chemical_formula_sum '[Cs18 Rb6 Hg36]'
_cell_volume [2798.2947]
_cell_formula_units_Z [6]
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  0.0000  0.4343  0.2500  1
  Rb  Rb1  6  0.0000  0.0000  0.0000  1
  Hg  Hg2  36  0.0801  0.2196  0.3286  1
]