data_[Na8Ga8Hg16Br32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [7.2967]
_cell_length_b [13.2709]
_cell_length_c [29.5567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [NaGa(HgBr2)2]
_chemical_formula_sum '[Na8 Ga8 Hg16 Br32]'
_cell_volume [2862.0993]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  8  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  16  0.0000  0.0000  0.1501  1.0
  Br  Br3  32  0.0543  0.1487  0.7045  1.0
]