data_[Na2Al2Hg2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2356]
_cell_length_b [16.3108]
_cell_length_c [7.0740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaAlHgBr6]
_chemical_formula_sum '[Na2 Al2 Hg2 Br12]'
_cell_volume [795.5669]
_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  2  0.0000  0.3130  0.0000  1.0
  Al  Al1  2  0.0000  0.7559  0.0000  1.0
  Hg  Hg2  2  0.0000  0.9544  0.5000  1.0
  Br  Br3  4  0.1829  0.4691  0.2497  1.0
  Br  Br4  4  0.1916  0.6817  0.8520  1.0
  Br  Br5  4  0.2155  0.8376  0.2400  1.0
]