data_[Al8Hg8Br28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [10.5311]
_cell_length_b [13.1546]
_cell_length_c [15.1940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2Hg2Br7]
_chemical_formula_sum '[Al8 Hg8 Br28]'
_cell_volume [2104.1868]
_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
[
  Al  Al0  8  0.1926  0.2085  0.2607  1
  Hg  Hg1  8  0.0794  0.4117  0.0113  1
  Br  Br2  8  0.1542  0.3522  0.3398  1
  Br  Br3  8  0.1618  0.4001  0.6773  1
  Br  Br4  8  0.2426  0.2440  0.1140  1
  Br  Br5  4  0.0000  0.1030  0.2500  1
]