data_[Ag24Hg96Cl40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.0896]
_cell_length_b [17.0896]
_cell_length_c [17.0896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ag3Hg12Cl5]
_chemical_formula_sum '[Ag24 Hg96 Cl40]'
_cell_volume [4991.0722]
_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
[
  Ag  Ag0  24  0.0000  0.2500  0.1250  1
  Hg  Hg1  96  0.0225  0.5919  0.3495  1
  Cl  Cl2  24  0.0000  0.2500  0.3750  1
  Cl  Cl3  16  0.0000  0.0000  0.0000  1
]