data_[Na4Al4Hg4Br16]
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 [Imma]
_cell_length_a [7.3561]
_cell_length_b [9.7640]
_cell_length_c [17.5629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaAlHgBr4]
_chemical_formula_sum '[Na4 Al4 Hg4 Br16]'
_cell_volume [1261.4507]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1.0
  Al  Al1  4  0.0000  0.2500  0.5728  1.0
  Hg  Hg2  4  0.2500  0.2500  0.2500  1.0
  Br  Br3  8  0.0000  0.0520  0.6422  1.0
  Br  Br4  8  0.2446  0.2500  0.0106  1.0
]