data_[Cs2Ba4Hg20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.3563]
_cell_length_b [22.4878]
_cell_length_c [6.3173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Cs(BaHg5)2]
_chemical_formula_sum '[Cs2 Ba4 Hg20]'
_cell_volume [1045.0483]
_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
  Ba  Ba1  4  0.1411  0.3137  0.5000  1
  Hg  Hg2  8  0.1647  0.1624  0.2656  1
  Hg  Hg3  4  0.0327  0.5718  0.0000  1
  Hg  Hg4  4  0.0393  0.7254  0.0000  1
  Hg  Hg5  4  0.1809  0.8514  0.0000  1
]