data_[Na42Nb16Zn8Si33S3O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1405]
_cell_length_b [15.8044]
_cell_length_c [22.4824]
_cell_angle_alpha [89.8652]
_cell_angle_beta [89.9586]
_cell_angle_gamma [89.9490]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na42Nb16Zn8Si33(SO48)3]
_chemical_formula_sum '[Na42 Nb16 Zn8 Si33 S3 O144]'
_cell_volume [3247.7773]
_cell_formula_units_Z [1]
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  0.0021  0.9966  0.5051  1
  Na  Na1  1  0.0024  0.6690  0.8363  1
  Na  Na2  1  0.1256  0.1585  0.5897  1
  Na  Na3  1  0.1279  0.4942  0.2572  1
  Na  Na4  1  0.1681  0.1846  0.2542  1
  Na  Na5  1  0.1773  0.8574  0.5847  1
  Na  Na6  1  0.1782  0.5146  0.9144  1
  Na  Na7  1  0.1836  0.1561  0.9142  1
  Na  Na8  1  0.2033  0.8205  0.2532  1
  Na  Na9  1  0.2033  0.4815  0.5898  1
  Na  Na10  1  0.2993  0.3201  0.7535  1
  Na  Na11  1  0.2996  0.9817  0.0891  1
  Na  Na12  1  0.3173  0.6567  0.4142  1
  Na  Na13  1  0.3330  0.6846  0.7548  1
  Na  Na14  1  0.3757  0.9951  0.7559  1
  Na  Na15  1  0.3773  0.6598  0.0890  1
  Na  Na16  1  0.4925  0.1647  0.3371  1
  Na  Na17  1  0.4951  0.4961  0.0085  1
  Na  Na18  1  0.4952  0.4951  0.5076  1
  Na  Na19  1  0.4979  0.8334  0.1715  1
  Na  Na20  1  0.5000  0.1672  0.8324  1
  Na  Na21  1  0.5102  0.8325  0.6724  1
  Na  Na22  1  0.6207  0.6580  0.5896  1
  Na  Na23  1  0.6291  0.9934  0.2588  1
  Na  Na24  1  0.6399  0.3342  0.9139  1
  Na  Na25  1  0.6681  0.6860  0.2537  1
  Na  Na26  1  0.6726  0.0119  0.9145  1
  Na  Na27  1  0.6742  0.3582  0.5908  1
  Na  Na28  1  0.6809  0.6534  0.9153  1
  Na  Na29  1  0.6984  0.9839  0.5890  1
  Na  Na30  1  0.7039  0.3197  0.2532  1
  Na  Na31  1  0.7961  0.8201  0.7536  1
  Na  Na32  1  0.7990  0.4830  0.0884  1
  Na  Na33  1  0.8142  0.1544  0.4148  1
  Na  Na34  1  0.8267  0.5127  0.4147  1
  Na  Na35  1  0.8295  0.1908  0.7535  1
  Na  Na36  1  0.8672  0.4883  0.7559  1
  Na  Na37  1  0.8774  0.1597  0.0895  1
  Na  Na38  1  0.9970  0.3327  0.1718  1
  Na  Na39  1  0.9975  0.6707  0.3345  1
  Na  Na40  1  0.9988  0.9903  0.0096  1
  Na  Na41  1  0.9992  0.3334  0.6763  1
  Nb  Nb42  1  0.0007  0.3332  0.5187  1
  Nb  Nb43  1  0.0023  0.6624  0.1844  1
  Nb  Nb44  1  0.0027  0.3340  0.0210  1
  Nb  Nb45  1  0.0042  0.6700  0.9808  1
  Nb  Nb46  1  0.0065  0.0068  0.3575  1
  Nb  Nb47  1  0.4944  0.1652  0.4789  1
  Nb  Nb48  1  0.4997  0.8355  0.5179  1
  Nb  Nb49  1  0.4998  0.1666  0.9816  1
  Nb  Nb50  1  0.5004  0.1673  0.6882  1
  Nb  Nb51  1  0.5006  0.5016  0.8515  1
  Nb  Nb52  1  0.5019  0.8330  0.0198  1
  Nb  Nb53  1  0.5027  0.5059  0.3561  1
  Nb  Nb54  1  0.5034  0.1614  0.1849  1
  Nb  Nb55  1  0.9963  0.6609  0.6850  1
  Nb  Nb56  1  0.9975  0.0051  0.8561  1
  Nb  Nb57  1  0.9998  0.6697  0.4794  1
  Zn  Zn58  1  0.0002  0.3338  0.8167  1
  Zn  Zn59  1  0.0056  0.0027  0.1459  1
  Zn  Zn60  1  0.4896  0.8348  0.3214  1
  Zn  Zn61  1  0.4997  0.5001  0.6512  1
  Zn  Zn62  1  0.5057  0.5030  0.1452  1
  Zn  Zn63  1  0.5102  0.8325  0.8219  1
  Zn  Zn64  1  0.9895  0.3327  0.3209  1
  Zn  Zn65  1  0.9900  0.0060  0.6464  1
  Si  Si66  1  0.1447  0.8145  0.0843  1
  Si  Si67  1  0.1450  0.1459  0.7465  1
  Si  Si68  1  0.1476  0.4779  0.4143  1
  Si  Si69  1  0.1496  0.5180  0.0818  1
  Si  Si70  1  0.1497  0.1920  0.4131  1
  Si  Si71  1  0.2064  0.8352  0.4145  1
  Si  Si72  1  0.2077  0.4999  0.7468  1
  Si  Si73  1  0.2085  0.1695  0.0838  1
  Si  Si74  1  0.2914  0.3334  0.9144  1
  Si  Si75  1  0.2921  0.9986  0.2468  1
  Si  Si76  1  0.2923  0.6679  0.5830  1
  Si  Si77  1  0.3528  0.9770  0.9149  1
  Si  Si78  1  0.3528  0.6900  0.9133  1
  Si  Si79  1  0.3535  0.3114  0.5826  1
  Si  Si80  1  0.3551  0.0200  0.5845  1
  Si  Si81  1  0.3555  0.6477  0.2465  1
  Si  Si82  1  0.6436  0.3142  0.0835  1
  Si  Si83  1  0.6446  0.6487  0.7465  1
  Si  Si84  1  0.6464  0.9785  0.4129  1
  Si  Si85  1  0.6473  0.3548  0.7467  1
  Si  Si86  1  0.6494  0.6923  0.4135  1
  Si  Si87  1  0.6499  0.0167  0.0822  1
  Si  Si88  1  0.7040  0.3327  0.4152  1
  Si  Si89  1  0.7075  0.9975  0.7467  1
  Si  Si90  1  0.7099  0.6695  0.0825  1
  Si  Si91  1  0.7898  0.1679  0.5817  1
  Si  Si92  1  0.7929  0.4987  0.2468  1
  Si  Si93  1  0.7946  0.8328  0.9148  1
  Si  Si94  1  0.8527  0.1904  0.9155  1
  Si  Si95  1  0.8527  0.8127  0.5841  1
  Si  Si96  1  0.8530  0.5186  0.5805  1
  Si  Si97  1  0.8550  0.4796  0.9154  1
  Si  Si98  1  0.8565  0.1468  0.2471  1
  S  S99  1  0.1425  0.8544  0.7487  1
  S  S100  1  0.3596  0.3563  0.2484  1
  S  S101  1  0.8591  0.8557  0.2487  1
  O  O102  1  0.0560  0.4291  0.0776  1
  O  O103  1  0.0652  0.0972  0.4111  1
  O  O104  1  0.0665  0.5661  0.1408  1
  O  O105  1  0.0667  0.4431  0.3564  1
  O  O106  1  0.0674  0.2354  0.4722  1
  O  O107  1  0.0681  0.7683  0.7470  1
  O  O108  1  0.0746  0.8968  0.8021  1
  O  O109  1  0.0776  0.1020  0.6887  1
  O  O110  1  0.0781  0.7597  0.0281  1
  O  O111  1  0.0784  0.9069  0.0858  1
  O  O112  1  0.0789  0.2395  0.7534  1
  O  O113  1  0.0792  0.5745  0.4251  1
  O  O114  1  0.0985  0.4213  0.7543  1
  O  O115  1  0.1014  0.9189  0.4089  1
  O  O116  1  0.1025  0.7507  0.4268  1
  O  O117  1  0.1058  0.2546  0.0778  1
  O  O118  1  0.1059  0.5792  0.0252  1
  O  O119  1  0.1100  0.5920  0.7447  1
  O  O120  1  0.1110  0.0858  0.0826  1
  O  O121  1  0.1119  0.4184  0.4740  1
  O  O122  1  0.1123  0.0827  0.8071  1
  O  O123  1  0.1142  0.7498  0.1425  1
  O  O124  1  0.1157  0.9027  0.6940  1
  O  O125  1  0.1248  0.2425  0.3530  1
  O  O126  1  0.1694  0.6533  0.2454  1
  O  O127  1  0.1726  0.3152  0.5763  1
  O  O128  1  0.1732  0.9907  0.9095  1
  O  O129  1  0.1751  0.0140  0.3049  1
  O  O130  1  0.1770  0.6702  0.9240  1
  O  O131  1  0.1779  0.3483  0.9720  1
  O  O132  1  0.1802  0.6840  0.6412  1
  O  O133  1  0.1802  0.6582  0.5259  1
  O  O134  1  0.1812  0.0078  0.5868  1
  O  O135  1  0.1956  0.9825  0.1887  1
  O  O136  1  0.1998  0.3429  0.2555  1
  O  O137  1  0.1998  0.3090  0.8566  1
  O  O138  1  0.2962  0.8075  0.3568  1
  O  O139  1  0.3007  0.8427  0.7550  1
  O  O140  1  0.3029  0.4867  0.6880  1
  O  O141  1  0.3147  0.8473  0.4741  1
  O  O142  1  0.3176  0.5174  0.8066  1
  O  O143  1  0.3181  0.1814  0.1423  1
  O  O144  1  0.3202  0.1597  0.0262  1
  O  O145  1  0.3219  0.5145  0.0865  1
  O  O146  1  0.3231  0.1744  0.4248  1
  O  O147  1  0.3258  0.8150  0.0771  1
  O  O148  1  0.3270  0.4910  0.4100  1
  O  O149  1  0.3290  0.1488  0.7457  1
  O  O150  1  0.3741  0.7423  0.8534  1
  O  O151  1  0.3825  0.2491  0.6418  1
  O  O152  1  0.3855  0.4057  0.1963  1
  O  O153  1  0.3856  0.5838  0.3073  1
  O  O154  1  0.3873  0.9186  0.9746  1
  O  O155  1  0.3883  0.0909  0.2451  1
  O  O156  1  0.3884  0.7562  0.5778  1
  O  O157  1  0.3920  0.5849  0.5834  1
  O  O158  1  0.3937  0.4195  0.9115  1
  O  O159  1  0.3946  0.0821  0.5282  1
  O  O160  1  0.4032  0.2516  0.9254  1
  O  O161  1  0.4052  0.9206  0.2539  1
  O  O162  1  0.4208  0.0744  0.9254  1
  O  O163  1  0.4216  0.6023  0.1893  1
  O  O164  1  0.4252  0.7411  0.2527  1
  O  O165  1  0.4255  0.4033  0.5835  1
  O  O166  1  0.4257  0.3964  0.3036  1
  O  O167  1  0.4265  0.2583  0.5276  1
  O  O168  1  0.4319  0.5941  0.9108  1
  O  O169  1  0.4324  0.7352  0.9723  1
  O  O170  1  0.4329  0.2691  0.2467  1
  O  O171  1  0.4338  0.9435  0.8564  1
  O  O172  1  0.4350  0.0657  0.6428  1
  O  O173  1  0.4398  0.9274  0.5779  1
  O  O174  1  0.5563  0.9286  0.0778  1
  O  O175  1  0.5598  0.2610  0.7452  1
  O  O176  1  0.5672  0.0660  0.1406  1
  O  O177  1  0.5673  0.4020  0.8069  1
  O  O178  1  0.5681  0.7345  0.4730  1
  O  O179  1  0.5690  0.5952  0.4108  1
  O  O180  1  0.5749  0.7420  0.7533  1
  O  O181  1  0.5776  0.9410  0.3539  1
  O  O182  1  0.5780  0.6065  0.6880  1
  O  O183  1  0.5783  0.4070  0.0847  1
  O  O184  1  0.5799  0.2610  0.0255  1
  O  O185  1  0.5822  0.0751  0.4250  1
  O  O186  1  0.5949  0.9193  0.7540  1
  O  O187  1  0.6019  0.2493  0.4266  1
  O  O188  1  0.6047  0.0790  0.0256  1
  O  O189  1  0.6064  0.7546  0.0768  1
  O  O190  1  0.6069  0.4209  0.4095  1
  O  O191  1  0.6104  0.5862  0.0830  1
  O  O192  1  0.6106  0.9179  0.4731  1
  O  O193  1  0.6124  0.2493  0.1414  1
  O  O194  1  0.6142  0.0890  0.7454  1
  O  O195  1  0.6166  0.5847  0.8066  1
  O  O196  1  0.6217  0.4106  0.6882  1
  O  O197  1  0.6242  0.7420  0.3532  1
  O  O198  1  0.6696  0.1537  0.2446  1
  O  O199  1  0.6731  0.8164  0.5773  1
  O  O200  1  0.6737  0.4880  0.9115  1
  O  O201  1  0.6761  0.1720  0.9247  1
  O  O202  1  0.6795  0.8503  0.9713  1
  O  O203  1  0.6797  0.5112  0.5825  1
  O  O204  1  0.6798  0.5138  0.3068  1
  O  O205  1  0.6804  0.1567  0.5249  1
  O  O206  1  0.6820  0.1834  0.6408  1
  O  O207  1  0.6938  0.4823  0.1896  1
  O  O208  1  0.6998  0.8417  0.2546  1
  O  O209  1  0.7070  0.8095  0.8557  1
  O  O210  1  0.7952  0.3106  0.3566  1
  O  O211  1  0.8063  0.9793  0.6892  1
  O  O212  1  0.8160  0.3505  0.4732  1
  O  O213  1  0.8183  0.6814  0.1419  1
  O  O214  1  0.8200  0.3399  0.7546  1
  O  O215  1  0.8212  0.0120  0.8065  1
  O  O216  1  0.8217  0.6584  0.0258  1
  O  O217  1  0.8224  0.0148  0.0857  1
  O  O218  1  0.8233  0.6699  0.4241  1
  O  O219  1  0.8253  0.3148  0.0771  1
  O  O220  1  0.8273  0.9911  0.4104  1
  O  O221  1  0.8305  0.6543  0.7448  1
  O  O222  1  0.8668  0.2456  0.8568  1
  O  O223  1  0.8840  0.4165  0.9742  1
  O  O224  1  0.8841  0.0839  0.3074  1
  O  O225  1  0.8844  0.7499  0.6428  1
  O  O226  1  0.8853  0.9056  0.1957  1
  O  O227  1  0.8881  0.2557  0.5765  1
  O  O228  1  0.8885  0.5911  0.2456  1
  O  O229  1  0.8925  0.0853  0.5826  1
  O  O230  1  0.8932  0.9202  0.9093  1
  O  O231  1  0.8972  0.5803  0.5250  1
  O  O232  1  0.8985  0.7496  0.9264  1
  O  O233  1  0.9063  0.4207  0.2538  1
  O  O234  1  0.9215  0.5758  0.9256  1
  O  O235  1  0.9218  0.1029  0.1890  1
  O  O236  1  0.9249  0.7595  0.5283  1
  O  O237  1  0.9251  0.2409  0.2526  1
  O  O238  1  0.9253  0.8950  0.3033  1
  O  O239  1  0.9304  0.0940  0.9110  1
  O  O240  1  0.9306  0.9032  0.5854  1
  O  O241  1  0.9325  0.2326  0.9744  1
  O  O242  1  0.9325  0.5662  0.6402  1
  O  O243  1  0.9327  0.7683  0.2461  1
  O  O244  1  0.9345  0.4441  0.8574  1
  O  O245  1  0.9401  0.4277  0.5778  1
]