data_[Na32Ca2Cd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7473]
_cell_length_b [16.9232]
_cell_length_c [10.0569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na16CaCd12]
_chemical_formula_sum '[Na32 Ca2 Cd24]'
_cell_volume [1623.2500]
_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
[
  Na  Na0  4  0.0142  0.2921  0.3095  1
  Na  Na1  4  0.0498  0.3505  0.9980  1
  Na  Na2  4  0.2070  0.7960  0.6906  1
  Na  Na3  4  0.3293  0.3335  0.9977  1
  Na  Na4  4  0.3419  0.3403  0.4067  1
  Na  Na5  4  0.4407  0.8430  0.5940  1
  Na  Na6  2  0.0002  0.0000  0.9958  1
  Na  Na7  2  0.3246  0.0000  0.7373  1
  Na  Na8  2  0.3380  0.0000  0.3575  1
  Na  Na9  2  0.4976  0.5000  0.6397  1
  Ca  Ca10  2  0.0795  0.5000  0.2673  1
  Cd  Cd11  4  0.0889  0.9102  0.3667  1
  Cd  Cd12  4  0.1824  0.8232  0.1899  1
  Cd  Cd13  4  0.2276  0.4089  0.6273  1
  Cd  Cd14  4  0.2756  0.9115  0.0045  1
  Cd  Cd15  4  0.4973  0.3226  0.8145  1
  Cd  Cd16  2  0.1411  0.5000  0.8211  1
  Cd  Cd17  2  0.3096  0.5000  0.1829  1
]