data_[Na4Hg2I4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6368]
_cell_length_b [4.4050]
_cell_length_c [7.6565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Hg(ICl)2]
_chemical_formula_sum '[Na4 Hg2 I4 Cl4]'
_cell_volume [463.7287]
_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
[
  Na  Na0  4  0.2431  0.0000  0.7117  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  I  I2  4  0.1003  0.5000  0.8544  1
  Cl  Cl3  4  0.1547  0.0000  0.3276  1
]