data_[Ag8Hg4Bi4Se16]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5942]
_cell_length_b [11.6400]
_cell_length_c [8.1985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ag2HgBiSe4]
_chemical_formula_sum '[Ag8 Hg4 Bi4 Se16]'
_cell_volume [791.2226]
_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  4  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  4  0.2500  0.2500  0.0000  1.0
  Hg  Hg2  4  0.2500  0.2500  0.5000  1.0
  Bi  Bi3  4  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.0471  0.2559  0.0580  1.0
  Se  Se5  8  0.2421  0.4767  0.9951  1.0
]