data_[Na18Zr12Nb12Si27S9O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  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 [9.0183]
_cell_length_b [15.6879]
_cell_length_c [23.1110]
_cell_angle_alpha [89.9085]
_cell_angle_beta [89.9957]
_cell_angle_gamma [89.9448]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Zr4Nb4Si9(SO16)3]
_chemical_formula_sum '[Na18 Zr12 Nb12 Si27 S9 O144]'
_cell_volume [3269.6794]
_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  0.0032  0.3343  0.3337  1
  Na  Na1  1  0.0091  0.3378  0.8313  1
  Na  Na2  1  0.0109  0.6708  0.6665  1
  Na  Na3  1  0.1374  0.4971  0.2537  1
  Na  Na4  1  0.1410  0.1681  0.9188  1
  Na  Na5  1  0.3558  0.9977  0.7555  1
  Na  Na6  1  0.3585  0.6661  0.4125  1
  Na  Na7  1  0.4877  0.1731  0.1686  1
  Na  Na8  1  0.4899  0.8354  0.3290  1
  Na  Na9  1  0.4914  0.8278  0.8404  1
  Na  Na10  1  0.5034  0.4943  0.4962  1
  Na  Na11  1  0.5083  0.1791  0.6661  1
  Na  Na12  1  0.5105  0.5019  0.0036  1
  Na  Na13  1  0.6212  0.0005  0.2519  1
  Na  Na14  1  0.8783  0.5001  0.7523  1
  Na  Na15  1  0.9884  0.0025  0.4966  1
  Na  Na16  1  0.9886  0.6723  0.1704  1
  Na  Na17  1  0.9938  0.9948  0.0015  1
  Zr  Zr18  1  0.0091  0.6658  0.3093  1
  Zr  Zr19  1  0.0166  0.9945  0.8555  1
  Zr  Zr20  1  0.0167  0.6712  0.8142  1
  Zr  Zr21  1  0.4837  0.1724  0.3140  1
  Zr  Zr22  1  0.4877  0.1706  0.8123  1
  Zr  Zr23  1  0.4944  0.4928  0.3513  1
  Zr  Zr24  1  0.4998  0.8230  0.6835  1
  Zr  Zr25  1  0.5098  0.8353  0.4796  1
  Zr  Zr26  1  0.5106  0.8319  0.1892  1
  Zr  Zr27  1  0.9902  0.3329  0.6892  1
  Zr  Zr28  1  0.9909  0.3372  0.9819  1
  Zr  Zr29  1  0.9937  0.3282  0.1856  1
  Nb  Nb30  1  0.0017  0.0002  0.6447  1
  Nb  Nb31  1  0.0051  0.9966  0.1443  1
  Nb  Nb32  1  0.0096  0.6672  0.5244  1
  Nb  Nb33  1  0.0098  0.9936  0.3595  1
  Nb  Nb34  1  0.4886  0.1677  0.0262  1
  Nb  Nb35  1  0.4903  0.4938  0.8604  1
  Nb  Nb36  1  0.4947  0.4952  0.6435  1
  Nb  Nb37  1  0.5131  0.1659  0.5127  1
  Nb  Nb38  1  0.5141  0.5012  0.1492  1
  Nb  Nb39  1  0.5164  0.8314  0.9785  1
  Nb  Nb40  1  0.9837  0.3321  0.4772  1
  Nb  Nb41  1  0.9874  0.6649  0.0137  1
  Si  Si42  1  0.1386  0.1863  0.0819  1
  Si  Si43  1  0.1408  0.1452  0.7507  1
  Si  Si44  1  0.1431  0.5207  0.4179  1
  Si  Si45  1  0.1454  0.8084  0.4182  1
  Si  Si46  1  0.1464  0.8531  0.7468  1
  Si  Si47  1  0.2071  0.1672  0.4200  1
  Si  Si48  1  0.2131  0.5009  0.7497  1
  Si  Si49  1  0.2878  0.0008  0.2497  1
  Si  Si50  1  0.2927  0.6676  0.9200  1
  Si  Si51  1  0.3523  0.3100  0.9194  1
  Si  Si52  1  0.3560  0.3530  0.2462  1
  Si  Si53  1  0.3581  0.6842  0.5807  1
  Si  Si54  1  0.3614  0.6447  0.2506  1
  Si  Si55  1  0.3637  0.0211  0.9175  1
  Si  Si56  1  0.6392  0.3572  0.7518  1
  Si  Si57  1  0.6417  0.3143  0.4143  1
  Si  Si58  1  0.6458  0.9779  0.0844  1
  Si  Si59  1  0.6467  0.6864  0.0835  1
  Si  Si60  1  0.6475  0.0210  0.4106  1
  Si  Si61  1  0.7007  0.3348  0.0835  1
  Si  Si62  1  0.7934  0.4987  0.2520  1
  Si  Si63  1  0.7956  0.8332  0.5840  1
  Si  Si64  1  0.8509  0.1884  0.5838  1
  Si  Si65  1  0.8537  0.5205  0.9108  1
  Si  Si66  1  0.8550  0.4780  0.5843  1
  Si  Si67  1  0.8572  0.8125  0.9145  1
  Si  Si68  1  0.8609  0.8580  0.2518  1
  S  S69  1  0.1469  0.4826  0.0837  1
  S  S70  1  0.2089  0.8308  0.0826  1
  S  S71  1  0.2910  0.3306  0.5831  1
  S  S72  1  0.3545  0.9815  0.5844  1
  S  S73  1  0.6408  0.6415  0.7498  1
  S  S74  1  0.7131  0.9993  0.7489  1
  S  S75  1  0.7136  0.6665  0.4177  1
  S  S76  1  0.7873  0.1663  0.9168  1
  S  S77  1  0.8596  0.1406  0.2501  1
  O  O78  1  0.0684  0.7614  0.7493  1
  O  O79  1  0.0696  0.0900  0.0920  1
  O  O80  1  0.0701  0.7636  0.4753  1
  O  O81  1  0.0703  0.9044  0.4116  1
  O  O82  1  0.0727  0.2269  0.0226  1
  O  O83  1  0.0730  0.5585  0.3582  1
  O  O84  1  0.0745  0.4252  0.4309  1
  O  O85  1  0.0760  0.1020  0.8098  1
  O  O86  1  0.0765  0.5680  0.0771  1
  O  O87  1  0.0765  0.2394  0.7429  1
  O  O88  1  0.0781  0.9071  0.6912  1
  O  O89  1  0.0829  0.4431  0.1364  1
  O  O90  1  0.0992  0.5867  0.4716  1
  O  O91  1  0.0994  0.0807  0.6958  1
  O  O92  1  0.1031  0.5834  0.7522  1
  O  O93  1  0.1040  0.0823  0.4112  1
  O  O94  1  0.1048  0.2512  0.4316  1
  O  O95  1  0.1101  0.7560  0.0764  1
  O  O96  1  0.1105  0.9095  0.0877  1
  O  O97  1  0.1111  0.4162  0.7456  1
  O  O98  1  0.1138  0.2457  0.1378  1
  O  O99  1  0.1150  0.4288  0.0321  1
  O  O100  1  0.1177  0.7491  0.3624  1
  O  O101  1  0.1192  0.9135  0.8039  1
  O  O102  1  0.1741  0.3169  0.9243  1
  O  O103  1  0.1759  0.0104  0.1927  1
  O  O104  1  0.1759  0.3478  0.2401  1
  O  O105  1  0.1761  0.9944  0.3067  1
  O  O106  1  0.1768  0.6733  0.5767  1
  O  O107  1  0.1792  0.6457  0.2522  1
  O  O108  1  0.1796  0.0195  0.9148  1
  O  O109  1  0.1804  0.6523  0.9754  1
  O  O110  1  0.1890  0.9904  0.5891  1
  O  O111  1  0.1960  0.6857  0.8620  1
  O  O112  1  0.2005  0.3449  0.5310  1
  O  O113  1  0.2029  0.3205  0.6355  1
  O  O114  1  0.2975  0.8208  0.1351  1
  O  O115  1  0.3003  0.8452  0.0306  1
  O  O116  1  0.3049  0.1852  0.3625  1
  O  O117  1  0.3087  0.4914  0.0876  1
  O  O118  1  0.3200  0.1522  0.4761  1
  O  O119  1  0.3215  0.1733  0.0765  1
  O  O120  1  0.3241  0.8173  0.4256  1
  O  O121  1  0.3245  0.5202  0.4169  1
  O  O122  1  0.3245  0.5102  0.6927  1
  O  O123  1  0.3245  0.4945  0.8066  1
  O  O124  1  0.3247  0.1431  0.7520  1
  O  O125  1  0.3286  0.8524  0.7416  1
  O  O126  1  0.3766  0.4123  0.3042  1
  O  O127  1  0.3810  0.2509  0.8621  1
  O  O128  1  0.3822  0.9286  0.5335  1
  O  O129  1  0.3833  0.7439  0.6379  1
  O  O130  1  0.3888  0.9159  0.2455  1
  O  O131  1  0.3899  0.4090  0.5882  1
  O  O132  1  0.3906  0.2556  0.5774  1
  O  O133  1  0.3956  0.7515  0.9306  1
  O  O134  1  0.3963  0.5827  0.9101  1
  O  O135  1  0.3968  0.0835  0.2523  1
  O  O136  1  0.3978  0.5816  0.1949  1
  O  O137  1  0.3988  0.0877  0.9702  1
  O  O138  1  0.4146  0.9415  0.6378  1
  O  O139  1  0.4201  0.0674  0.5793  1
  O  O140  1  0.4237  0.6037  0.3109  1
  O  O141  1  0.4261  0.4061  0.1909  1
  O  O142  1  0.4271  0.9252  0.9285  1
  O  O143  1  0.4282  0.7277  0.5238  1
  O  O144  1  0.4285  0.4047  0.9120  1
  O  O145  1  0.4286  0.7390  0.2426  1
  O  O146  1  0.4287  0.2633  0.9747  1
  O  O147  1  0.4290  0.0591  0.8565  1
  O  O148  1  0.4294  0.5894  0.5924  1
  O  O149  1  0.4369  0.2612  0.2496  1
  O  O150  1  0.5693  0.4077  0.4163  1
  O  O151  1  0.5696  0.2619  0.7552  1
  O  O152  1  0.5698  0.5923  0.0887  1
  O  O153  1  0.5707  0.9418  0.1427  1
  O  O154  1  0.5723  0.4069  0.6940  1
  O  O155  1  0.5737  0.9284  0.4227  1
  O  O156  1  0.5741  0.2619  0.4722  1
  O  O157  1  0.5745  0.7288  0.7449  1
  O  O158  1  0.5761  0.7363  0.0266  1
  O  O159  1  0.5774  0.0640  0.3536  1
  O  O160  1  0.5785  0.6036  0.8026  1
  O  O161  1  0.5790  0.0730  0.0692  1
  O  O162  1  0.5926  0.4180  0.0901  1
  O  O163  1  0.6011  0.2480  0.0740  1
  O  O164  1  0.6036  0.4193  0.8075  1
  O  O165  1  0.6083  0.9146  0.0290  1
  O  O166  1  0.6085  0.5909  0.6969  1
  O  O167  1  0.6106  0.0826  0.4692  1
  O  O168  1  0.6119  0.9246  0.7428  1
  O  O169  1  0.6138  0.5913  0.4149  1
  O  O170  1  0.6140  0.7437  0.4216  1
  O  O171  1  0.6163  0.2551  0.3590  1
  O  O172  1  0.6182  0.0766  0.7520  1
  O  O173  1  0.6204  0.7469  0.1389  1
  O  O174  1  0.6692  0.1738  0.5745  1
  O  O175  1  0.6722  0.5149  0.9074  1
  O  O176  1  0.6725  0.4870  0.5926  1
  O  O177  1  0.6765  0.8208  0.9243  1
  O  O178  1  0.6803  0.8566  0.2474  1
  O  O179  1  0.6862  0.5105  0.1935  1
  O  O180  1  0.6882  0.4845  0.3077  1
  O  O181  1  0.6904  0.8218  0.6410  1
  O  O182  1  0.6912  0.8520  0.5285  1
  O  O183  1  0.6962  0.1469  0.2524  1
  O  O184  1  0.6968  0.1767  0.8641  1
  O  O185  1  0.6968  0.1569  0.9691  1
  O  O186  1  0.8015  0.6774  0.3651  1
  O  O187  1  0.8027  0.9875  0.8011  1
  O  O188  1  0.8039  0.6485  0.7523  1
  O  O189  1  0.8042  0.6588  0.4702  1
  O  O190  1  0.8057  0.3199  0.1395  1
  O  O191  1  0.8064  0.0089  0.6962  1
  O  O192  1  0.8067  0.3504  0.0273  1
  O  O193  1  0.8196  0.3553  0.7474  1
  O  O194  1  0.8228  0.3214  0.4245  1
  O  O195  1  0.8279  0.9870  0.0912  1
  O  O196  1  0.8286  0.0152  0.4084  1
  O  O197  1  0.8291  0.6744  0.0729  1
  O  O198  1  0.8789  0.2469  0.6400  1
  O  O199  1  0.8831  0.7550  0.8582  1
  O  O200  1  0.8858  0.0903  0.9121  1
  O  O201  1  0.8866  0.2426  0.9205  1
  O  O202  1  0.8899  0.5822  0.9690  1
  O  O203  1  0.8904  0.4138  0.5296  1
  O  O204  1  0.8911  0.0895  0.1969  1
  O  O205  1  0.8952  0.9211  0.3075  1
  O  O206  1  0.8966  0.5833  0.2529  1
  O  O207  1  0.8976  0.7486  0.5757  1
  O  O208  1  0.9027  0.9181  0.5941  1
  O  O209  1  0.9031  0.4168  0.2436  1
  O  O210  1  0.9195  0.5735  0.5702  1
  O  O211  1  0.9209  0.1019  0.3025  1
  O  O212  1  0.9232  0.5640  0.8537  1
  O  O213  1  0.9251  0.2341  0.5270  1
  O  O214  1  0.9254  0.9080  0.9132  1
  O  O215  1  0.9258  0.0920  0.5929  1
  O  O216  1  0.9259  0.9092  0.1940  1
  O  O217  1  0.9259  0.2268  0.2451  1
  O  O218  1  0.9262  0.4273  0.9218  1
  O  O219  1  0.9279  0.7625  0.9719  1
  O  O220  1  0.9292  0.4413  0.6430  1
  O  O221  1  0.9338  0.7650  0.2553  1
]