data_[Ag20Hg4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.5527]
_cell_length_b [6.9174]
_cell_length_c [9.8801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag5HgTe3]
_chemical_formula_sum '[Ag20 Hg4 Te12]'
_cell_volume [938.3142]
_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  0.1475  0.3012  0.0905  1
  Ag  Ag1  8  0.1778  0.2717  0.5575  1
  Ag  Ag2  4  0.0000  0.2631  0.7500  1
  Hg  Hg3  4  0.0000  0.2475  0.2500  1
  Te  Te4  8  0.1845  0.4461  0.8366  1
  Te  Te5  4  0.0000  0.0000  0.0000  1
]