data_[H4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  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 [11.6473]
_cell_length_b [16.3263]
_cell_length_c [9.2584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [H(AuI3)2]
_chemical_formula_sum '[H4 Au8 I24]'
_cell_volume [1760.4351]
_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
[
  H  H0  4  0.0000  0.1927  0.2500  1.0
  Au  Au1  8  0.1771  0.3460  0.1817  1.0
  I  I2  8  0.1101  0.0683  0.8308  1.0
  I  I3  8  0.1256  0.4865  0.0599  1.0
  I  I4  8  0.1632  0.1974  0.2841  1.0
]