data_[Sr3Al2Zn1Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P-3m1]
_cell_length_a [6.4594]
_cell_length_b [6.4594]
_cell_length_c [8.4472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3Al2ZnAu6]
_chemical_formula_sum '[Sr3 Al2 Zn1 Au6]'
_cell_volume [305.2324]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.6486  1
  Sr  Sr1  1  0.0000  0.0000  0.0000  1
  Al  Al2  2  0.3333  0.6667  0.0698  1
  Zn  Zn3  1  0.0000  0.0000  0.5000  1
  Au  Au4  6  0.1765  0.3530  0.2958  1
]