data_[Sr6Al6Au16]
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 [C2/m]
_cell_length_a [16.9576]
_cell_length_b [4.6173]
_cell_length_c [9.2220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Al3Au8]
_chemical_formula_sum '[Sr6 Al6 Au16]'
_cell_volume [620.6190]
_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
[
  Sr  Sr0  4  0.2065  0.5000  0.6594  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.1769  0.5000  0.0005  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Au  Au4  4  0.0180  0.5000  0.6876  1
  Au  Au5  4  0.1108  0.0000  0.3894  1
  Au  Au6  4  0.1415  0.5000  0.2381  1
  Au  Au7  4  0.1419  0.0000  0.8406  1
]