data_[Zn18Cr3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.0922]
_cell_length_b [12.0922]
_cell_length_c [8.1587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn6CrAu12]
_chemical_formula_sum '[Zn18 Cr3 Au36]'
_cell_volume [1033.1378]
_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
[
  Zn  Zn0  18  0.0533  0.2126  0.7464  1.0
  Cr  Cr1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0368  0.2384  0.0697  1.0
  Au  Au3  18  0.0633  0.2310  0.4189  1.0
]