data_[Ge8Au4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7405]
_cell_length_b [13.9158]
_cell_length_c [10.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ge2AuI6]
_chemical_formula_sum '[Ge8 Au4 I24]'
_cell_volume [1945.0905]
_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
[
  Ge  Ge0  8  0.1949  0.4240  0.7202  1.0
  Au  Au1  4  0.0000  0.2267  0.7500  1.0
  I  I2  8  0.1171  0.0826  0.1910  1.0
  I  I3  8  0.1435  0.4987  0.9457  1.0
  I  I4  8  0.1586  0.2248  0.6953  1.0
]