data_[Al4Ge4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8691]
_cell_length_b [7.6784]
_cell_length_c [9.0773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlGeAu5]
_chemical_formula_sum '[Al4 Ge4 Au20]'
_cell_volume [537.4537]
_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
[
  Al  Al0  4  0.0000  0.4561  0.7500  1
  Ge  Ge1  4  0.0000  0.0000  0.0000  1
  Au  Au2  8  0.1631  0.4217  0.5117  1
  Au  Au3  8  0.1787  0.1619  0.7595  1
  Au  Au4  4  0.0000  0.1954  0.2500  1
]