data_[Na32Tl24Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.9474]
_cell_length_b [16.9081]
_cell_length_c [10.2814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na16Tl12Cd]
_chemical_formula_sum '[Na32 Tl24 Cd2]'
_cell_volume [1699.5234]
_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  0.0146  0.2937  0.3086  1
  Na  Na1  4  0.0479  0.3657  0.9943  1
  Na  Na2  4  0.2075  0.2037  0.6926  1
  Na  Na3  4  0.3295  0.3313  0.0001  1
  Na  Na4  4  0.3447  0.3449  0.4164  1
  Na  Na5  4  0.4313  0.1526  0.5895  1
  Na  Na6  2  0.0138  0.0000  0.6614  1
  Na  Na7  2  0.0862  0.5000  0.2808  1
  Na  Na8  2  0.3330  0.0000  0.3343  1
  Na  Na9  2  0.4989  0.5000  0.9953  1
  Tl  Tl10  4  0.0948  0.0960  0.3813  1
  Tl  Tl11  4  0.1916  0.1914  0.1913  1
  Tl  Tl12  4  0.2131  0.4039  0.6194  1
  Tl  Tl13  4  0.2871  0.0947  0.9967  1
  Tl  Tl14  4  0.4978  0.3092  0.8124  1
  Tl  Tl15  2  0.1214  0.5000  0.8149  1
  Tl  Tl16  2  0.3130  0.5000  0.2000  1
  Cd  Cd17  2  0.3141  0.0000  0.7084  1
]