data_[Cs12In6Si6Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.8609]
_cell_length_b [6.8609]
_cell_length_c [39.1647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2InSiAu6]
_chemical_formula_sum '[Cs12 In6 Si6 Au36]'
_cell_volume [1596.5757]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1053  1.0
  Cs  Cs1  6  0.0000  0.0000  0.2761  1.0
  In  In2  6  0.0000  0.0000  0.4227  1.0
  Si  Si3  3  -0.0000  -0.0000  0.5000  1.0
  Si  Si4  3  0.0000  0.0000  0.0000  1.0
  Au  Au5  18  0.0552  0.5276  0.3078  1.0
  Au  Au6  18  0.0576  0.5288  0.8594  1.0
]