data_[Cd4Cu1Au7]
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 [P-1]
_cell_length_a [5.0389]
_cell_length_b [5.7298]
_cell_length_c [9.4948]
_cell_angle_alpha [83.4453]
_cell_angle_beta [80.1232]
_cell_angle_gamma [64.9838]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cd4CuAu7]
_chemical_formula_sum '[Cd4 Cu1 Au7]'
_cell_volume [244.4634]
_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  2  0.3074  0.1889  0.3330  1
  Cd  Cd1  2  0.3607  0.4152  0.7681  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Au  Au3  2  0.0414  0.1052  0.7260  1
  Au  Au4  2  0.2235  0.5076  0.0768  1
  Au  Au5  2  0.2788  0.7470  0.5139  1
  Au  Au6  1  0.5000  0.0000  0.0000  1
]