data_[Cs6Rb3Hg48]
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 [R3m]
_cell_length_a [11.2573]
_cell_length_b [11.2573]
_cell_length_c [17.1816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2RbHg16]
_chemical_formula_sum '[Cs6 Rb3 Hg48]'
_cell_volume [1885.6430]
_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  0.3410  1
  Cs  Cs1  3  0.0000  0.0000  0.6486  1
  Rb  Rb2  3  0.0000  0.0000  0.0760  1
  Hg  Hg3  18  0.0265  0.3535  0.6705  1
  Hg  Hg4  9  0.0004  0.5002  0.8491  1
  Hg  Hg5  9  0.0050  0.5025  0.5108  1
  Hg  Hg6  9  0.0173  0.5086  0.1543  1
  Hg  Hg7  3  0.0000  0.0000  0.8688  1
]