data_[Cd4Ni2Au16]
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 [C2/m]
_cell_length_a [7.6824]
_cell_length_b [13.0213]
_cell_length_c [5.6712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.9240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2NiAu8]
_chemical_formula_sum '[Cd4 Ni2 Au16]'
_cell_volume [422.1011]
_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  4  0.0000  0.3047  0.0000  1
  Ni  Ni1  2  0.0000  0.5000  0.5000  1
  Au  Au2  8  0.1309  0.1071  0.3360  1
  Au  Au3  4  0.0000  0.2789  0.5000  1
  Au  Au4  4  0.2237  0.5000  0.0991  1
]