data_[Na2Ge2Au22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4852]
_cell_length_b [13.4592]
_cell_length_c [7.1870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaGeAu11]
_chemical_formula_sum '[Na2 Ge2 Au22]'
_cell_volume [509.2945]
_cell_formula_units_Z [2]
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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Ge  Ge1  2  0.0000  0.5000  0.5000  1
  Au  Au2  8  0.0745  0.3941  0.2196  1
  Au  Au3  8  0.1296  0.1809  0.3480  1
  Au  Au4  4  0.2500  0.2500  0.0000  1
  Au  Au5  2  0.0000  0.0000  0.5000  1
]