data_[Cs2Li2Hg2I8]
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 [P2_1/m]
_cell_length_a [7.1646]
_cell_length_b [8.7928]
_cell_length_c [10.6323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLiHgI4]
_chemical_formula_sum '[Cs2 Li2 Hg2 I8]'
_cell_volume [645.6612]
_cell_formula_units_Z [2]
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  2  0.2288  0.2500  0.0790  1.0
  Li  Li1  2  0.3200  0.2500  0.6912  1.0
  Hg  Hg2  2  0.1858  0.7500  0.3365  1.0
  I  I3  4  0.0827  0.0051  0.7247  1.0
  I  I4  2  0.3478  0.7500  0.0986  1.0
  I  I5  2  0.4663  0.2500  0.4733  1.0
]