data_[Na10Ga32Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [10.8971]
_cell_length_b [10.8971]
_cell_length_c [11.6074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Na5(Ga8Au5)2]
_chemical_formula_sum '[Na10 Ga32 Au20]'
_cell_volume [1193.6714]
_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  6  0.1013  0.8981  0.7500  1
  Na  Na1  4  0.3333  0.6667  0.0895  1
  Ga  Ga2  12  0.0355  0.6144  0.5790  1
  Ga  Ga3  12  0.1252  0.8476  0.0565  1
  Ga  Ga4  6  0.0557  0.6001  0.2500  1
  Ga  Ga5  2  0.3333  0.6667  0.7500  1
  Au  Au6  12  0.1600  0.4571  0.6085  1
  Au  Au7  6  0.1385  0.4027  0.2500  1
  Au  Au8  2  0.0000  0.0000  0.0000  1
]