data_[Ag4Hg4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1823]
_cell_length_b [7.5684]
_cell_length_c [10.4773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AgHgCl3]
_chemical_formula_sum '[Ag4 Hg4 Cl12]'
_cell_volume [557.7707]
_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  0.3029  0.6756  0.2380  1.0
  Hg  Hg1  4  0.0875  0.2394  0.0776  1.0
  Cl  Cl2  4  0.0508  0.0766  0.3307  1.0
  Cl  Cl3  4  0.2310  0.6150  0.5057  1.0
  Cl  Cl4  4  0.4089  0.1418  0.6540  1.0
]