data_[Cd12Ni2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5146]
_cell_length_b [6.5839]
_cell_length_c [13.7247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cd6NiAu2]
_chemical_formula_sum '[Cd12 Ni2 Au4]'
_cell_volume [407.9481]
_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
[
  Cd  Cd0  8  0.0000  0.2367  0.1574  1.0
  Cd  Cd1  4  0.0000  0.2724  0.5000  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0000  0.0000  0.3338  1.0
]