data_[Cd6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4533]
_cell_length_b [3.3123]
_cell_length_c [7.3410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdAu]
_chemical_formula_sum '[Cd6 Au6]'
_cell_volume [238.6199]
_cell_formula_units_Z [6]
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  0.0184  0.0000  0.5957  1.0
  Cd  Cd1  2  0.1953  0.5000  0.3456  1.0
  Cd  Cd2  2  0.2183  0.5000  0.9380  1.0
  Au  Au3  2  0.0139  0.0000  0.0103  1.0
  Au  Au4  2  0.3166  0.0000  0.6906  1.0
  Au  Au5  2  0.4041  0.0000  0.2531  1.0
]