data_[Al4Hg4I4Cl16]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5871]
_cell_length_b [11.6269]
_cell_length_c [10.2475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlHgICl4]
_chemical_formula_sum '[Al4 Hg4 I4 Cl16]'
_cell_volume [1244.1138]
_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  4  0.1333  0.5000  0.2376  1.0
  Hg  Hg1  4  0.1780  0.0000  0.0027  1.0
  I  I2  4  0.0538  0.0000  0.2128  1.0
  Cl  Cl3  8  0.1760  0.3543  0.1109  1.0
  Cl  Cl4  4  0.0629  0.5000  0.7425  1.0
  Cl  Cl5  4  0.2324  0.0000  0.5853  1.0
]