data_[Cs20Au8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [20.5576]
_cell_length_b [8.7071]
_cell_length_c [9.7644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs5Au2]
_chemical_formula_sum '[Cs20 Au8]'
_cell_volume [1734.3339]
_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
[
  Cs  Cs0  8  0.0874  0.1057  0.9171  1.0
  Cs  Cs1  8  0.2160  0.4236  0.3254  1.0
  Cs  Cs2  4  0.0000  0.4348  0.2500  1.0
  Au  Au3  8  0.1037  0.2917  0.5788  1.0
]