data_[Sr8Zn12Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.8411]
_cell_length_b [12.9383]
_cell_length_c [6.3525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sr2Zn3Au5]
_chemical_formula_sum '[Sr8 Zn12 Au20]'
_cell_volume [891.0355]
_cell_formula_units_Z [4]
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  8  0.2306  0.3671  0.5000  1.0
  Zn  Zn1  8  0.1034  0.3625  0.0000  1.0
  Zn  Zn2  4  0.0000  0.0000  0.2500  1.0
  Au  Au3  8  0.0000  0.2260  0.2500  1.0
  Au  Au4  8  0.1616  0.1014  0.5000  1.0
  Au  Au5  4  0.0000  0.5000  0.2500  1.0
]