data_[Cs8In24Hg80]
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 [Fm-3m]
_cell_length_a [15.4723]
_cell_length_b [15.4723]
_cell_length_c [15.4723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [CsIn3Hg10]
_chemical_formula_sum '[Cs8 In24 Hg80]'
_cell_volume [3703.9463]
_cell_formula_units_Z [8]
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  0.2500  0.2500  0.2500  1
  In  In1  24  0.0000  0.0000  0.2624  1
  Hg  Hg2  48  0.0000  0.1776  0.1776  1
  Hg  Hg3  32  0.1108  0.1108  0.3892  1
]