data_[In4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [15.4574]
_cell_length_b [16.1482]
_cell_length_c [8.6924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In(AuI3)2]
_chemical_formula_sum '[In4 Au8 I24]'
_cell_volume [1948.2472]
_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
[
  In  In0  4  0.0000  0.1730  0.7500  1.0
  Au  Au1  8  0.2200  0.4632  0.0501  1.0
  I  I2  8  0.1061  0.4894  0.7284  1.0
  I  I3  8  0.1076  0.2505  0.0510  1.0
  I  I4  8  0.1221  0.0676  0.6630  1.0
]