data_[Al4Zn2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0175]
_cell_length_b [3.6948]
_cell_length_c [6.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2ZnAu8]
_chemical_formula_sum '[Al4 Zn2 Au16]'
_cell_volume [395.3996]
_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
[
  Al  Al0  4  0.1882  0.0000  0.7159  1.0
  Zn  Zn1  2  0.0000  0.5000  0.0000  1.0
  Au  Au2  4  0.0373  0.0000  0.7428  1.0
  Au  Au3  4  0.0917  0.5000  0.4352  1.0
  Au  Au4  4  0.1631  0.5000  0.9826  1.0
  Au  Au5  4  0.2023  0.0000  0.3278  1.0
]