data_[Al4Zn2Au4]
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 [Pmmn]
_cell_length_a [4.3379]
_cell_length_b [4.3908]
_cell_length_c [9.3136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Al2ZnAu2]
_chemical_formula_sum '[Al4 Zn2 Au4]'
_cell_volume [177.3950]
_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  2  0.0000  0.5000  0.0030  1
  Al  Al1  2  0.0000  0.5000  0.6809  1
  Zn  Zn2  2  0.0000  0.5000  0.3116  1
  Au  Au3  2  0.0000  0.0000  0.1536  1
  Au  Au4  2  0.0000  0.0000  0.5146  1
]