data_[Cs8Li4Hg4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  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 [4.7273]
_cell_length_b [23.2148]
_cell_length_c [15.5893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiHgI5]
_chemical_formula_sum '[Cs8 Li4 Hg4 I20]'
_cell_volume [1710.8220]
_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  0.1276  0.6891  1.0
  Cs  Cs1  4  0.0000  0.1342  0.3130  1.0
  Li  Li2  4  0.0000  0.2281  0.0505  1.0
  Hg  Hg3  4  0.0000  0.4332  0.4303  1.0
  I  I4  4  0.0000  0.0394  0.0329  1.0
  I  I5  4  0.0000  0.2937  0.6483  1.0
  I  I6  4  0.0000  0.3165  0.3809  1.0
  I  I7  4  0.0000  0.3406  0.0022  1.0
  I  I8  4  0.0000  0.4993  0.2770  1.0
]