data_[Mg2Ge4Au16]
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 [C2/m]
_cell_length_a [15.6215]
_cell_length_b [4.0090]
_cell_length_c [6.6413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(GeAu4)2]
_chemical_formula_sum '[Mg2 Ge4 Au16]'
_cell_volume [400.6670]
_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  2  0.0000  0.5000  0.0000  1
  Ge  Ge1  4  0.2140  0.0000  0.6400  1
  Au  Au2  4  0.0411  0.0000  0.7297  1
  Au  Au3  4  0.0929  0.5000  0.4446  1
  Au  Au4  4  0.1344  0.0000  0.1744  1
  Au  Au5  4  0.1811  0.5000  0.9056  1
]