data_[Na12Ge20Au8]
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 [Ibam]
_cell_length_a [11.2131]
_cell_length_b [12.9341]
_cell_length_c [6.2485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3Ge5Au2]
_chemical_formula_sum '[Na12 Ge20 Au8]'
_cell_volume [906.2193]
_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
[
  Na  Na0  8  0.2410  0.3813  0.0000  1
  Na  Na1  4  0.0000  0.0000  0.2500  1
  Ge  Ge2  8  0.0000  0.2388  0.2500  1
  Ge  Ge3  8  0.1208  0.3703  0.5000  1
  Ge  Ge4  4  0.0000  0.5000  0.2500  1
  Au  Au5  8  0.1560  0.1486  0.0000  1
]