data_[Mg4Ge2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6583]
_cell_length_b [6.2755]
_cell_length_c [14.0147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg2GeAu8]
_chemical_formula_sum '[Mg4 Ge2 Au16]'
_cell_volume [409.6930]
_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  0.5000  0.1875  1.0
  Ge  Ge1  2  0.0000  0.5000  0.5000  1.0
  Au  Au2  8  0.0000  0.2297  0.3609  1.0
  Au  Au3  4  0.0000  0.0000  0.1837  1.0
  Au  Au4  4  0.0000  0.2665  0.0000  1.0
]