data_[Al2Hg2Br8]
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 [P-1]
_cell_length_a [6.8588]
_cell_length_b [6.9006]
_cell_length_c [10.0350]
_cell_angle_alpha [76.4897]
_cell_angle_beta [83.8442]
_cell_angle_gamma [60.4541]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlHgBr4]
_chemical_formula_sum '[Al2 Hg2 Br8]'
_cell_volume [401.7405]
_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
[
  Al  Al0  2  0.1663  0.5847  0.7351  1
  Hg  Hg1  2  0.4867  0.9589  0.6357  1
  Br  Br2  2  0.1594  0.4274  0.1792  1
  Br  Br3  2  0.1673  0.6692  0.5019  1
  Br  Br4  2  0.1893  0.8571  0.8282  1
  Br  Br5  2  0.4732  0.2292  0.8236  1
]