data_[Al4Hg2Ge2I16]
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
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2732]
_cell_length_b [8.3267]
_cell_length_c [11.8221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2HgGeI8]
_chemical_formula_sum '[Al4 Hg2 Ge2 I16]'
_cell_volume [1194.4748]
_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  4  0.1145  0.5000  0.8125  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0174  0.2518  0.1919  1.0
  I  I4  4  0.2013  0.5000  0.6335  1.0
  I  I5  4  0.2494  0.0000  0.9971  1.0
]