data_[Na34Mg2Cd22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7297]
_cell_length_b [16.6281]
_cell_length_c [10.1568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na17MgCd11]
_chemical_formula_sum '[Na34 Mg2 Cd22]'
_cell_volume [1618.0245]
_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  0.0625  0.3448  0.4057  1
  Na  Na1  4  0.1577  0.1595  0.5888  1
  Na  Na2  4  0.1740  0.1755  0.0028  1
  Na  Na3  4  0.2968  0.2967  0.3158  1
  Na  Na4  4  0.4537  0.1416  0.0001  1
  Na  Na5  4  0.4841  0.7956  0.6874  1
  Na  Na6  2  0.0011  0.0000  0.3503  1
  Na  Na7  2  0.1545  0.5000  0.6526  1
  Na  Na8  2  0.1846  0.5000  0.2762  1
  Na  Na9  2  0.4120  0.0000  0.7209  1
  Na  Na10  2  0.4987  0.5000  0.0023  1
  Mg  Mg11  2  0.1761  0.0000  0.8179  1
  Cd  Cd12  4  0.0036  0.8189  0.1849  1
  Cd  Cd13  4  0.2277  0.4109  0.0012  1
  Cd  Cd14  4  0.2712  0.0918  0.3626  1
  Cd  Cd15  4  0.3184  0.3200  0.8161  1
  Cd  Cd16  4  0.4081  0.4079  0.6384  1
  Cd  Cd17  2  0.3574  0.0000  0.1723  1
]