data_[Mg12Cd3Rh3Au6]
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
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6171]
_cell_length_b [4.6171]
_cell_length_c [23.0975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg4CdRhAu2]
_chemical_formula_sum '[Mg12 Cd3 Rh3 Au6]'
_cell_volume [426.4169]
_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  0.1312  1
  Mg  Mg1  6  0.0000  0.0000  0.3822  1
  Cd  Cd2  3  0.0000  0.0000  0.0000  1
  Rh  Rh3  3  -0.0000  -0.0000  0.5000  1
  Au  Au4  6  0.0000  0.0000  0.2502  1
]