data_[Cs2Hg2N2Cl4O6]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8680]
_cell_length_b [5.8680]
_cell_length_c [11.3254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [CsHgNCl2O3]
_chemical_formula_sum '[Cs2 Hg2 N2 Cl4 O6]'
_cell_volume [337.7289]
_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  0.0000  0.0000  0.0000  1
  Hg  Hg1  2  0.3333  0.6667  0.2500  1
  N  N2  2  0.3333  0.6667  0.7500  1
  Cl  Cl3  4  0.3333  0.6667  0.0447  1
  O  O4  6  0.2081  0.4163  0.7500  1
]