data_[Al4Cd2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1234]
_cell_length_b [3.3909]
_cell_length_c [4.8307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2CdAu]
_chemical_formula_sum '[Al4 Cd2 Au2]'
_cell_volume [148.2066]
_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
[
  Al  Al0  2  0.2462  0.0000  0.7334  1
  Al  Al1  2  0.4974  0.5000  0.9897  1
  Cd  Cd2  2  0.2499  0.5000  0.2340  1
  Au  Au3  2  0.0064  0.5000  0.5429  1
]