data_[Al18Zn36Cd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.6255]
_cell_length_b [11.6255]
_cell_length_c [8.5476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Al6Zn12Cd]
_chemical_formula_sum '[Al18 Zn36 Cd3]'
_cell_volume [1000.4573]
_cell_formula_units_Z [3]
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  18  0.0716  0.5358  0.2260  1
  Zn  Zn1  18  0.0000  0.3900  0.5000  1
  Zn  Zn2  18  0.0803  0.1606  0.2658  1
  Cd  Cd3  3  0.0000  0.0000  0.0000  1
]