data_[Al1Zn2Au7]
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 [P3m1]
_cell_length_a [4.3712]
_cell_length_b [4.3712]
_cell_length_c [11.1499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [AlZn2Au7]
_chemical_formula_sum '[Al1 Zn2 Au7]'
_cell_volume [184.5005]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9713  1.0
  Zn  Zn1  1  0.3333  0.6667  0.3245  1.0
  Zn  Zn2  1  0.6667  0.3333  0.6483  1.0
  Au  Au3  1  0.0000  0.0000  0.2643  1.0
  Au  Au4  1  0.0000  0.0000  0.7321  1.0
  Au  Au5  1  0.3333  0.6667  0.0285  1.0
  Au  Au6  1  0.3333  0.6667  0.5684  1.0
  Au  Au7  1  0.6667  0.3333  0.1489  1.0
  Au  Au8  1  0.6667  0.3333  0.4157  1.0
  Au  Au9  1  0.6667  0.3333  0.8817  1.0
]