data_[Pb4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  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 [15.5894]
_cell_length_b [14.5814]
_cell_length_c [7.7990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pb(AuI3)2]
_chemical_formula_sum '[Pb4 Au8 I24]'
_cell_volume [1594.2487]
_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
[
  Pb  Pb0  4  0.0000  0.1067  0.7500  1
  Au  Au1  8  0.2043  0.4156  0.7778  1
  I  I2  8  0.1080  0.4600  0.9781  1
  I  I3  8  0.1211  0.0940  0.2180  1
  I  I4  8  0.1533  0.2276  0.7143  1
]