data_[Sr6Al18Au12]
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 [17.2003]
_cell_length_b [4.2886]
_cell_length_c [10.5515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrAl3Au2]
_chemical_formula_sum '[Sr6 Al18 Au12]'
_cell_volume [748.3929]
_cell_formula_units_Z [6]
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  0.1559  0.0000  0.7050  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0443  0.0000  0.3608  1
  Al  Al3  4  0.1294  0.5000  0.2034  1
  Al  Al4  4  0.1704  0.5000  0.9670  1
  Al  Al5  4  0.2123  0.0000  0.3833  1
  Al  Al6  2  0.0000  0.5000  0.5000  1
  Au  Au7  4  0.0255  0.5000  0.7800  1
  Au  Au8  4  0.1450  0.5000  0.4575  1
  Au  Au9  4  0.2000  0.0000  0.1254  1
]