data_[Na6Fe3Hg3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8633]
_cell_length_b [6.8633]
_cell_length_c [17.9830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2FeHgCl6]
_chemical_formula_sum '[Na6 Fe3 Hg3 Cl18]'
_cell_volume [733.6094]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4722  1.0
  Na  Na1  3  0.0000  0.0000  0.9816  1.0
  Fe  Fe2  3  0.0000  0.0000  0.6784  1.0
  Hg  Hg3  3  0.0000  0.0000  0.1856  1.0
  Cl  Cl4  9  0.0144  0.3877  0.4162  1.0
  Cl  Cl5  9  0.0590  0.6887  0.2576  1.0
]