data_[Sr6Zn6Au45]
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 [R-3m]
_cell_length_a [9.7157]
_cell_length_b [9.7157]
_cell_length_c [14.4239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Zn2Au15]
_chemical_formula_sum '[Sr6 Zn6 Au45]'
_cell_volume [1179.1288]
_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
[
  Sr  Sr0  6  0.0000  0.0000  0.3425  1.0
  Zn  Zn1  6  0.0000  0.0000  0.0971  1.0
  Au  Au2  18  0.0000  0.3048  0.0000  1.0
  Au  Au3  18  0.0020  0.5010  0.1540  1.0
  Au  Au4  9  0.0000  0.5000  0.5000  1.0
]