data_[Mg4Cd2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.7995]
_cell_length_b [8.7995]
_cell_length_c [4.2297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Mg2CdAu6]
_chemical_formula_sum '[Mg4 Cd2 Au12]'
_cell_volume [327.5074]
_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  0.1835  0.8165  0.5000  1
  Cd  Cd1  2  0.0000  0.0000  0.0000  1
  Au  Au2  8  0.0077  0.6695  0.0000  1
  Au  Au3  4  0.1558  0.1558  0.5000  1
]