data_[Ag20Hg4Br32]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.8023]
_cell_length_b [11.8023]
_cell_length_c [11.8023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Ag5HgBr8]
_chemical_formula_sum '[Ag20 Hg4 Br32]'
_cell_volume [1644.0074]
_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
[
  Ag  Ag0  16  0.1284  0.1284  0.6284  1.0
  Ag  Ag1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.2500  0.2500  0.2500  1.0
  Br  Br3  16  0.1171  0.1171  0.3829  1.0
  Br  Br4  16  0.1312  0.1312  0.8688  1.0
]