data_[Cd2Cu8Au6]
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 [Pmma]
_cell_length_a [9.0433]
_cell_length_b [5.8561]
_cell_length_c [4.6462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CdCu4Au3]
_chemical_formula_sum '[Cd2 Cu8 Au6]'
_cell_volume [246.0570]
_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  2  0.0000  0.5000  0.0000  1
  Cu  Cu1  4  0.0000  0.2431  0.5000  1
  Cu  Cu2  4  0.2500  0.2411  0.1144  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  Au  Au4  2  0.2500  0.0000  0.6060  1
  Au  Au5  2  0.2500  0.5000  0.5938  1
]