data_[Mg6Zn4Au6]
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 [3.5408]
_cell_length_b [4.3979]
_cell_length_c [18.0115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg3Zn2Au3]
_chemical_formula_sum '[Mg6 Zn4 Au6]'
_cell_volume [280.4765]
_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  0.3767  1.0
  Mg  Mg1  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn2  4  0.0000  0.5000  0.2510  1.0
  Au  Au3  4  0.0000  0.0000  0.1357  1.0
  Au  Au4  2  0.0000  0.5000  0.0000  1.0
]