data_[Ag11Hg9]
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
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.1260]
_cell_length_b [3.1260]
_cell_length_c [49.2699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ag11Hg9]
_chemical_formula_sum '[Ag11 Hg9]'
_cell_volume [416.9663]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0844  1.0
  Ag  Ag1  1  0.0000  0.0000  0.2764  1.0
  Ag  Ag2  1  0.3333  0.6667  0.0385  1.0
  Ag  Ag3  1  0.3333  0.6667  0.1303  1.0
  Ag  Ag4  1  0.3333  0.6667  0.2302  1.0
  Ag  Ag5  1  0.3333  0.6667  0.3223  1.0
  Ag  Ag6  1  0.3333  0.6667  0.4217  1.0
  Ag  Ag7  1  0.3333  0.6667  0.5212  1.0
  Ag  Ag8  1  0.3333  0.6667  0.6202  1.0
  Ag  Ag9  1  0.3333  0.6667  0.7195  1.0
  Ag  Ag10  1  0.3333  0.6667  0.8183  1.0
  Hg  Hg11  1  0.0000  0.0000  0.1803  1.0
  Hg  Hg12  1  0.0000  0.0000  0.3719  1.0
  Hg  Hg13  1  0.0000  0.0000  0.4714  1.0
  Hg  Hg14  1  0.0000  0.0000  0.5707  1.0
  Hg  Hg15  1  0.0000  0.0000  0.6699  1.0
  Hg  Hg16  1  0.0000  0.0000  0.7689  1.0
  Hg  Hg17  1  0.0000  0.0000  0.8685  1.0
  Hg  Hg18  1  0.0000  0.0000  0.9879  1.0
  Hg  Hg19  1  0.3333  0.6667  0.9276  1.0
]