data_[Ag8Hg4Br24]
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 [C2/c]
_cell_length_a [14.1353]
_cell_length_b [12.0496]
_cell_length_c [7.3170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8759]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag2HgBr6]
_chemical_formula_sum '[Ag8 Hg4 Br24]'
_cell_volume [1227.7915]
_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  8  0.2363  0.4075  0.6177  1.0
  Hg  Hg1  4  0.0000  0.1799  0.2500  1.0
  Br  Br2  8  0.1250  0.4974  0.3268  1.0
  Br  Br3  8  0.1420  0.1688  0.5856  1.0
  Br  Br4  8  0.1451  0.1657  0.0819  1.0
]