data_[Na6In3Hg3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4246]
_cell_length_b [7.4246]
_cell_length_c [20.1564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2InHgBr6]
_chemical_formula_sum '[Na6 In3 Hg3 Br18]'
_cell_volume [962.2497]
_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  0.4788  1
  Na  Na1  3  0.0000  0.0000  0.9882  1
  In  In2  3  0.0000  0.0000  0.6751  1
  Hg  Hg3  3  0.0000  0.0000  0.1832  1
  Br  Br4  9  0.0077  0.3763  0.4155  1
  Br  Br5  9  0.0447  0.6773  0.2556  1
]