data_[Mg4Zn12Au12]
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 [P2_13]
_cell_length_a [7.8485]
_cell_length_b [7.8485]
_cell_length_c [7.8485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Mg(ZnAu)3]
_chemical_formula_sum '[Mg4 Zn12 Au12]'
_cell_volume [483.4623]
_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
[
  Mg  Mg0  4  0.0384  0.5384  0.9616  1
  Zn  Zn1  4  0.1334  0.3666  0.6334  1
  Zn  Zn2  4  0.1539  0.1539  0.1539  1
  Zn  Zn3  4  0.1769  0.8231  0.3231  1
  Au  Au4  12  0.0392  0.6974  0.6259  1
]