data_[Sr27Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7634]
_cell_length_b [9.7634]
_cell_length_c [18.5918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sr3Au2]
_chemical_formula_sum '[Sr27 Au18]'
_cell_volume [1534.8074]
_cell_formula_units_Z [9]
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  18  0.0132  0.7514  0.0932  1.0
  Sr  Sr1  6  0.0000  0.0000  0.2980  1.0
  Sr  Sr2  3  -0.0000  0.0000  0.5000  1.0
  Au  Au3  18  0.0247  0.4137  0.0673  1.0
]