data_[Hg8Ge4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [14.8416]
_cell_length_b [13.4630]
_cell_length_c [7.9194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg2GeI6]
_chemical_formula_sum '[Hg8 Ge4 I24]'
_cell_volume [1548.9617]
_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
[
  Hg  Hg0  8  0.1916  0.4152  0.3507  1.0
  Ge  Ge1  4  0.0000  0.1105  0.2500  1.0
  I  I2  8  0.1130  0.0894  0.6193  1.0
  I  I3  8  0.1190  0.2465  0.1324  1.0
  I  I4  8  0.1207  0.4103  0.6562  1.0
]