data_[Mg64Cd24Au28]
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 [Fm-3m]
_cell_length_a [13.4020]
_cell_length_b [13.4020]
_cell_length_c [13.4020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Mg16Cd6Au7]
_chemical_formula_sum '[Mg64 Cd24 Au28]'
_cell_volume [2407.1816]
_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  32  0.1187  0.1187  0.8813  1
  Mg  Mg1  32  0.1562  0.1562  0.3438  1
  Cd  Cd2  24  0.0000  0.0000  0.2862  1
  Au  Au3  24  0.0000  0.2500  0.2500  1
  Au  Au4  4  0.0000  0.0000  0.0000  1
]