data_[Cs2Hg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [8.1367]
_cell_length_b [12.8697]
_cell_length_c [8.3242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHgI4]
_chemical_formula_sum '[Cs2 Hg2 I8]'
_cell_volume [842.0752]
_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  0.0638  0.7500  0.3121  1.0
  Hg  Hg1  2  0.2821  0.2500  0.2097  1.0
  I  I2  4  0.4880  0.1217  0.4972  1.0
  I  I3  2  0.0587  0.7500  0.7982  1.0
  I  I4  2  0.4076  0.2500  0.9366  1.0
]