data_[Ba3Sr18Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [8.1509]
_cell_length_b [8.1509]
_cell_length_c [21.8837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Ba(Sr3Au)2]
_chemical_formula_sum '[Ba3 Sr18 Au6]'
_cell_volume [1259.1035]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.0000  1
  Sr  Sr1  9  0.0000  0.4748  0.0000  1
  Sr  Sr2  9  0.0000  0.6496  0.5000  1
  Au  Au3  6  0.0000  0.0000  0.5692  1
]