data_[Mg18Zn3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2166]
_cell_length_b [10.2166]
_cell_length_c [11.6771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg6ZnAu12]
_chemical_formula_sum '[Mg18 Zn3 Au36]'
_cell_volume [1055.5467]
_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
[
  Mg  Mg0  18  0.0155  0.5961  0.7139  1.0
  Zn  Zn1  3  0.0000  0.0000  0.0000  1.0
  Au  Au2  18  0.0369  0.8520  0.8274  1.0
  Au  Au3  18  0.0507  0.2028  0.4053  1.0
]