data_[Hg24Ge8I16]
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 [Cmce]
_cell_length_a [8.6129]
_cell_length_b [14.2420]
_cell_length_c [16.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Hg3GeI2]
_chemical_formula_sum '[Hg24 Ge8 I16]'
_cell_volume [1976.2489]
_cell_formula_units_Z [8]
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  0.0000  0.0828  0.6198  1
  Hg  Hg1  8  0.0000  0.1555  0.0278  1
  Hg  Hg2  8  0.2500  0.2317  0.2500  1
  Ge  Ge3  8  0.0000  0.2454  0.1642  1
  I  I4  8  0.0000  0.0725  0.8727  1
  I  I5  8  0.0000  0.1111  0.4012  1
]