data_[Na4Hg8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [14.4823]
_cell_length_b [14.1393]
_cell_length_c [7.8377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na(HgI3)2]
_chemical_formula_sum '[Na4 Hg8 I24]'
_cell_volume [1577.5686]
_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
[
  Na  Na0  4  0.0000  0.1146  0.2500  1.0
  Hg  Hg1  8  0.1896  0.4162  0.2742  1.0
  I  I2  8  0.1109  0.0757  0.6534  1.0
  I  I3  8  0.1175  0.2637  0.0648  1.0
  I  I4  8  0.1263  0.4075  0.6014  1.0
]