data_[Mg34Al2Cd22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.4711]
_cell_length_b [14.9643]
_cell_length_c [9.2667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.3995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg17AlCd11]
_chemical_formula_sum '[Mg34 Al2 Cd22]'
_cell_volume [1280.3552]
_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
[
  Mg  Mg0  4  0.0553  0.3398  0.3997  1
  Mg  Mg1  4  0.1613  0.1537  0.5919  1
  Mg  Mg2  4  0.1870  0.1721  0.0016  1
  Mg  Mg3  4  0.2931  0.2995  0.3170  1
  Mg  Mg4  4  0.4585  0.1428  0.0047  1
  Mg  Mg5  4  0.4793  0.2025  0.6831  1
  Mg  Mg6  2  0.0047  0.0000  0.0012  1
  Mg  Mg7  2  0.1559  0.5000  0.6552  1
  Mg  Mg8  2  0.1828  0.5000  0.2984  1
  Mg  Mg9  2  0.4045  0.0000  0.7116  1
  Mg  Mg10  2  0.4725  0.5000  0.3335  1
  Al  Al11  2  0.3937  0.0000  0.2019  1
  Cd  Cd12  4  0.2015  0.4043  0.9970  1
  Cd  Cd13  4  0.2806  0.0978  0.3619  1
  Cd  Cd14  4  0.2980  0.3142  0.7968  1
  Cd  Cd15  4  0.4249  0.4030  0.6411  1
  Cd  Cd16  4  0.4972  0.3201  0.1900  1
  Cd  Cd17  2  0.2126  0.0000  0.8289  1
]