data_[Na18Zn9Ge3P12S6O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.9178]
_cell_length_b [8.9300]
_cell_length_c [21.7976]
_cell_angle_alpha [89.4583]
_cell_angle_beta [89.6136]
_cell_angle_gamma [60.0757]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Zn3GeP4(SO12)2]
_chemical_formula_sum '[Na18 Zn9 Ge3 P12 S6 O72]'
_cell_volume [1504.3840]
_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
[
  Na  Na0  1  0.0152  0.9916  0.9916  1
  Na  Na1  1  0.0421  0.2888  0.0791  1
  Na  Na2  1  0.0443  0.6695  0.5810  1
  Na  Na3  1  0.2996  0.0348  0.5811  1
  Na  Na4  1  0.3007  0.6626  0.0818  1
  Na  Na5  1  0.3234  0.6909  0.4123  1
  Na  Na6  1  0.3274  0.3238  0.1711  1
  Na  Na7  1  0.3275  0.3381  0.6664  1
  Na  Na8  1  0.3593  0.6463  0.7454  1
  Na  Na9  1  0.6347  0.3643  0.2536  1
  Na  Na10  1  0.6499  0.9923  0.7496  1
  Na  Na11  1  0.6594  0.2925  0.5838  1
  Na  Na12  1  0.6596  0.0465  0.0829  1
  Na  Na13  1  0.6845  0.6649  0.3303  1
  Na  Na14  1  0.6908  0.6566  0.8307  1
  Na  Na15  1  0.6930  0.9837  0.4120  1
  Na  Na16  1  0.7053  0.3206  0.9118  1
  Na  Na17  1  0.9995  0.0079  0.4953  1
  Zn  Zn18  1  0.0037  0.0057  0.3519  1
  Zn  Zn19  1  0.0065  0.0068  0.1515  1
  Zn  Zn20  1  0.3210  0.3367  0.3277  1
  Zn  Zn21  1  0.3340  0.3304  0.0106  1
  Zn  Zn22  1  0.3373  0.3305  0.5068  1
  Zn  Zn23  1  0.6583  0.6731  0.1819  1
  Zn  Zn24  1  0.6742  0.6574  0.6849  1
  Zn  Zn25  1  0.9903  0.9864  0.6573  1
  Zn  Zn26  1  0.9972  0.9951  0.8510  1
  Ge  Ge27  1  0.3293  0.3408  0.8236  1
  Ge  Ge28  1  0.6586  0.6695  0.9765  1
  Ge  Ge29  1  0.6638  0.6707  0.4807  1
  P  P30  1  0.0100  0.6880  0.7526  1
  P  P31  1  0.0250  0.6310  0.4207  1
  P  P32  1  0.0337  0.3430  0.9202  1
  P  P33  1  0.3362  0.6307  0.9195  1
  P  P34  1  0.3392  0.0290  0.4208  1
  P  P35  1  0.3766  0.6681  0.5838  1
  P  P36  1  0.3800  0.9541  0.0807  1
  P  P37  1  0.6237  0.0313  0.9185  1
  P  P38  1  0.6369  0.3424  0.4186  1
  P  P39  1  0.6657  0.9556  0.5836  1
  P  P40  1  0.6670  0.3775  0.0824  1
  P  P41  1  0.6929  0.2989  0.7541  1
  S  S42  1  0.0027  0.3020  0.2481  1
  S  S43  1  0.2910  0.0141  0.7512  1
  S  S44  1  0.2975  0.6982  0.2499  1
  S  S45  1  0.7016  0.9994  0.2495  1
  S  S46  1  0.9521  0.6681  0.0817  1
  S  S47  1  0.9559  0.3760  0.5821  1
  O  O48  1  0.0036  0.1905  0.9113  1
  O  O49  1  0.0204  0.2107  0.1884  1
  O  O50  1  0.0569  0.7492  0.6912  1
  O  O51  1  0.1074  0.5199  0.3645  1
  O  O52  1  0.1267  0.3237  0.9805  1
  O  O53  1  0.1282  0.5143  0.0766  1
  O  O54  1  0.1305  0.3721  0.8644  1
  O  O55  1  0.1307  0.3558  0.5755  1
  O  O56  1  0.1328  0.5552  0.4796  1
  O  O57  1  0.1574  0.3190  0.2547  1
  O  O58  1  0.1812  0.5065  0.7632  1
  O  O59  1  0.1861  0.8105  0.9093  1
  O  O60  1  0.1903  0.9907  0.4124  1
  O  O61  1  0.1973  0.8372  0.5847  1
  O  O62  1  0.1981  0.0338  0.6919  1
  O  O63  1  0.1999  0.9645  0.0843  1
  O  O64  1  0.2028  0.9892  0.8034  1
  O  O65  1  0.2029  0.7825  0.1921  1
  O  O66  1  0.2074  0.7981  0.3053  1
  O  O67  1  0.3118  0.1284  0.4806  1
  O  O68  1  0.3124  0.1707  0.7568  1
  O  O69  1  0.3145  0.5516  0.9788  1
  O  O70  1  0.3194  0.5214  0.2524  1
  O  O71  1  0.3513  0.1390  0.0745  1
  O  O72  1  0.3534  0.5084  0.5777  1
  O  O73  1  0.3736  0.5027  0.8632  1
  O  O74  1  0.3814  0.1120  0.3665  1
  O  O75  1  0.4689  0.8320  0.0231  1
  O  O76  1  0.4698  0.8592  0.7489  1
  O  O77  1  0.4710  0.6912  0.5251  1
  O  O78  1  0.4750  0.6780  0.2494  1
  O  O79  1  0.4835  0.6410  0.6414  1
  O  O80  1  0.4940  0.8782  0.1370  1
  O  O81  1  0.5021  0.1272  0.8607  1
  O  O82  1  0.5034  0.1369  0.5773  1
  O  O83  1  0.5045  0.3590  0.0773  1
  O  O84  1  0.5062  0.3094  0.7609  1
  O  O85  1  0.5112  0.8425  0.4247  1
  O  O86  1  0.5154  0.6314  0.9202  1
  O  O87  1  0.5183  0.3826  0.3618  1
  O  O88  1  0.5294  0.1608  0.2525  1
  O  O89  1  0.5490  0.1358  0.9768  1
  O  O90  1  0.5580  0.3093  0.4768  1
  O  O91  1  0.6367  0.8486  0.9207  1
  O  O92  1  0.6434  0.8736  0.6421  1
  O  O93  1  0.6441  0.4808  0.1408  1
  O  O94  1  0.6485  0.5122  0.4260  1
  O  O95  1  0.6548  0.4870  0.7485  1
  O  O96  1  0.6833  0.8441  0.2470  1
  O  O97  1  0.6925  0.8379  0.5257  1
  O  O98  1  0.6966  0.4691  0.0236  1
  O  O99  1  0.7672  0.1895  0.6946  1
  O  O100  1  0.7871  0.0190  0.1924  1
  O  O101  1  0.8016  0.2131  0.8105  1
  O  O102  1  0.8027  0.0121  0.9100  1
  O  O103  1  0.8029  0.9866  0.3053  1
  O  O104  1  0.8168  0.1827  0.4109  1
  O  O105  1  0.8313  0.9735  0.5842  1
  O  O106  1  0.8322  0.1946  0.0830  1
  O  O107  1  0.8376  0.6544  0.4263  1
  O  O108  1  0.8411  0.6967  0.0258  1
  O  O109  1  0.8411  0.4745  0.2464  1
  O  O110  1  0.8435  0.4618  0.5265  1
  O  O111  1  0.8461  0.5135  0.9210  1
  O  O112  1  0.8481  0.6699  0.7463  1
  O  O113  1  0.8762  0.6405  0.1376  1
  O  O114  1  0.8804  0.4778  0.6375  1
  O  O115  1  0.9695  0.8260  0.0845  1
  O  O116  1  0.9706  0.2027  0.5854  1
  O  O117  1  0.9778  0.8148  0.8038  1
  O  O118  1  0.9780  0.2075  0.2999  1
  O  O119  1  0.9974  0.8169  0.4138  1
]