data_[Mg6Zn8Au8]
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 [Immm]
_cell_length_a [3.5970]
_cell_length_b [8.2183]
_cell_length_c [14.0058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg3(ZnAu)4]
_chemical_formula_sum '[Mg6 Zn8 Au8]'
_cell_volume [414.0283]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1161  1.0
  Mg  Mg1  2  0.0000  0.5000  0.0000  1.0
  Zn  Zn2  8  0.0000  0.2155  0.6762  1.0
  Au  Au3  4  0.0000  0.3061  0.5000  1.0
  Au  Au4  4  0.0000  0.5000  0.2250  1.0
]