data_[Cs2Na2Hg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  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 [7.6684]
_cell_length_b [8.6351]
_cell_length_c [10.5641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsNaHgI4]
_chemical_formula_sum '[Cs2 Na2 Hg2 I8]'
_cell_volume [676.0345]
_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  0.2180  0.2500  0.0519  1.0
  Na  Na1  2  0.1455  0.2500  0.5165  1.0
  Hg  Hg2  2  0.2364  0.7500  0.3175  1.0
  I  I3  4  0.0320  0.0002  0.7136  1.0
  I  I4  2  0.3366  0.7500  0.0782  1.0
  I  I5  2  0.4862  0.7500  0.5609  1.0
]