data_[Cd1Pd4Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8374]
_cell_length_b [5.7557]
_cell_length_c [6.6468]
_cell_angle_alpha [76.3849]
_cell_angle_beta [74.1426]
_cell_angle_gamma [78.1010]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CdPd4Au5]
_chemical_formula_sum '[Cd1 Pd4 Au5]'
_cell_volume [171.0121]
_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  0.5000  0.0000  0.0000  1
  Pd  Pd1  2  0.1009  0.8971  0.7997  1
  Pd  Pd2  2  0.3023  0.6995  0.3991  1
  Au  Au3  2  0.0984  0.3982  0.7971  1
  Au  Au4  2  0.2966  0.1968  0.4060  1
  Au  Au5  1  0.5000  0.5000  0.0000  1
]