data_[Cs2Rb4Hg20]
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 [Pbam]
_cell_length_a [7.2771]
_cell_length_b [22.6181]
_cell_length_c [6.7854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Cs(RbHg5)2]
_chemical_formula_sum '[Cs2 Rb4 Hg20]'
_cell_volume [1116.8407]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Rb  Rb1  4  0.1653  0.3225  0.5000  1
  Hg  Hg2  8  0.1787  0.1528  0.2741  1
  Hg  Hg3  4  0.0239  0.5722  0.0000  1
  Hg  Hg4  4  0.0297  0.7236  0.0000  1
  Hg  Hg5  4  0.1678  0.8496  0.0000  1
]