data_[Ag8Hg12Te16]
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 [11.5499]
_cell_length_b [12.7159]
_cell_length_c [7.7566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag2Hg3Te4]
_chemical_formula_sum '[Ag8 Hg12 Te16]'
_cell_volume [1137.6881]
_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  0.1479  0.3571  0.8145  1.0
  Hg  Hg1  8  0.1290  0.1396  0.5947  1.0
  Hg  Hg2  4  0.0000  0.3150  0.2500  1.0
  Te  Te3  8  0.1040  0.1735  0.9987  1.0
  Te  Te4  8  0.1541  0.4332  0.4752  1.0
]