data_[Cs24Au9S3I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.8518]
_cell_length_b [10.8518]
_cell_length_c [26.0622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs8Au3SI4]
_chemical_formula_sum '[Cs24 Au9 S3 I12]'
_cell_volume [2657.9666]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  18  0.0004  0.5002  0.2441  1
  Cs  Cs1  6  0.0000  0.0000  0.2457  1
  Au  Au2  9  0.0000  0.5000  0.5000  1
  S  S3  3  0.0000  0.0000  0.5000  1
  I  I4  9  0.0000  0.5000  0.0000  1
  I  I5  3  -0.0000  -0.0000  0.0000  1
]