data_[Na6Zn3Hg3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.3129]
_cell_length_b [7.3129]
_cell_length_c [21.7019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Na2ZnHgBr6]
_chemical_formula_sum '[Na6 Zn3 Hg3 Br18]'
_cell_volume [1005.1055]
_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  6  0.0000  0.0000  0.2481  1.0
  Zn  Zn1  3  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  9  0.0000  0.3540  0.0000  1.0
  Br  Br4  9  0.0000  0.6767  0.5000  1.0
]