data_[Cs8Ag4Hg4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8292]
_cell_length_b [22.9044]
_cell_length_c [16.8024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2AgHgI5]
_chemical_formula_sum '[Cs8 Ag4 Hg4 I20]'
_cell_volume [1858.5150]
_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
[
  Cs  Cs0  4  0.0000  0.0737  0.6674  1.0
  Cs  Cs1  4  0.0000  0.1663  0.3467  1.0
  Ag  Ag2  4  0.0000  0.2633  0.1320  1.0
  Hg  Hg3  4  0.0000  0.4400  0.3985  1.0
  I  I4  4  0.0000  0.0578  0.9990  1.0
  I  I5  4  0.0000  0.2961  0.6657  1.0
  I  I6  4  0.0000  0.3359  0.3058  1.0
  I  I7  4  0.0000  0.3548  0.0218  1.0
  I  I8  4  0.0000  0.4659  0.7871  1.0
]