data_[Mg6Cd3Ga3Au12]
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
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6625]
_cell_length_b [4.6625]
_cell_length_c [23.4599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg2CdGaAu4]
_chemical_formula_sum '[Mg6 Cd3 Ga3 Au12]'
_cell_volume [441.6693]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2526  1.0
  Cd  Cd1  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  3  -0.0000  -0.0000  0.5000  1.0
  Au  Au3  6  0.0000  0.0000  0.1296  1.0
  Au  Au4  6  0.0000  0.0000  0.3796  1.0
]