data_[Mg12Sn4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [8.2539]
_cell_length_b [8.2539]
_cell_length_c [8.2539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Mg3SnAu3]
_chemical_formula_sum '[Mg12 Sn4 Au12]'
_cell_volume [562.3225]
_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  0.1181  0.3819  0.6181  1
  Mg  Mg1  4  0.1569  0.8431  0.3431  1
  Mg  Mg2  4  0.2054  0.2054  0.2054  1
  Sn  Sn3  4  0.0595  0.5595  0.9405  1
  Au  Au4  12  0.0141  0.1992  0.8999  1
]