data_[Sr9Al21Au6]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8593]
_cell_length_b [5.8593]
_cell_length_c [26.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr3Al7Au2]
_chemical_formula_sum '[Sr9 Al21 Au6]'
_cell_volume [800.1429]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1420  1.0
  Sr  Sr1  3  0.0000  0.0000  0.0000  1.0
  Al  Al2  18  0.0088  0.5044  0.9195  1.0
  Al  Al3  3  -0.0000  -0.0000  0.5000  1.0
  Au  Au4  6  0.0000  0.0000  0.3381  1.0
]