data_[Cs12In20Hg8]
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 [12.9727]
_cell_length_b [15.4663]
_cell_length_c [7.6739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3In5Hg2]
_chemical_formula_sum '[Cs12 In20 Hg8]'
_cell_volume [1539.6733]
_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  0.2407  0.3794  0.0000  1.0
  Cs  Cs1  4  0.0000  0.0000  0.2500  1.0
  In  In2  8  0.0000  0.2554  0.2500  1.0
  In  In3  8  0.1203  0.3749  0.5000  1.0
  In  In4  4  0.0000  0.5000  0.2500  1.0
  Hg  Hg5  8  0.1525  0.1586  0.0000  1.0
]