data_[Cd6Au26]
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 [Amm2]
_cell_length_a [8.1131]
_cell_length_b [8.5801]
_cell_length_c [8.6101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cd3Au13]
_chemical_formula_sum '[Cd6 Au26]'
_cell_volume [599.3619]
_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  0.2559  0.0000  0.0054  1.0
  Cd  Cd1  2  0.0000  0.0000  0.7397  1.0
  Au  Au2  8  0.2510  0.2481  0.7510  1.0
  Au  Au3  4  0.0000  0.2447  0.9970  1.0
  Au  Au4  4  0.2492  0.0000  0.4982  1.0
  Au  Au5  4  0.5000  0.2476  0.5010  1.0
  Au  Au6  2  0.0000  0.0000  0.2502  1.0
  Au  Au7  2  0.5000  0.0000  0.2528  1.0
  Au  Au8  2  0.5000  0.0000  0.7500  1.0
]