data_[Cd1Au5]
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 [P2/m]
_cell_length_a [4.2336]
_cell_length_b [4.1329]
_cell_length_c [6.5927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4071]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CdAu5]
_chemical_formula_sum '[Cd1 Au5]'
_cell_volume [110.6565]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Au  Au1  2  0.1668  0.5000  0.3349  1.0
  Au  Au2  2  0.3352  0.0000  0.6690  1.0
  Au  Au3  1  0.5000  0.5000  0.0000  1.0
]