data_[Cs8In20Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.7977]
_cell_length_b [14.5554]
_cell_length_c [7.2878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2In5Hg3]
_chemical_formula_sum '[Cs8 In20 Hg12]'
_cell_volume [1357.5302]
_cell_formula_units_Z [4]
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  8  0.2388  0.1233  0.0000  1.0
  In  In1  8  0.0000  0.2699  0.2500  1.0
  In  In2  8  0.1161  0.1340  0.5000  1.0
  In  In3  4  0.0000  0.5000  0.2500  1.0
  Hg  Hg4  8  0.1461  0.3813  0.0000  1.0
  Hg  Hg5  4  0.0000  0.0000  0.2500  1.0
]