data_[Cd4Cu4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7033]
_cell_length_b [9.1844]
_cell_length_c [5.9951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Cu2Au7]
_chemical_formula_sum '[Cd4 Cu4 Au14]'
_cell_volume [401.5336]
_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  0.1966  0.0000  0.0060  1.0
  Cu  Cu1  4  0.0000  0.2795  0.0000  1.0
  Au  Au2  8  0.1746  0.2622  0.6881  1.0
  Au  Au3  4  0.0979  0.5000  0.3307  1.0
  Au  Au4  2  0.0000  0.0000  0.5000  1.0
]