data_[Na18Zr6Zn18Si3S33O144]
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
  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 [8.8585]
_cell_length_b [15.2817]
_cell_length_c [22.8253]
_cell_angle_alpha [89.8260]
_cell_angle_beta [89.5985]
_cell_angle_gamma [89.9768]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Zr2Zn6SiS11O48]
_chemical_formula_sum '[Na18 Zr6 Zn18 Si3 S33 O144]'
_cell_volume [3089.8363]
_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  0.0015  0.0014  0.9990  1
  Na  Na1  1  0.0030  0.6682  0.6773  1
  Na  Na2  1  0.0131  0.3336  0.8430  1
  Na  Na3  1  0.0133  0.0100  0.4959  1
  Na  Na4  1  0.0133  0.3265  0.3287  1
  Na  Na5  1  0.3248  0.6857  0.2390  1
  Na  Na6  1  0.3621  0.9958  0.2583  1
  Na  Na7  1  0.3737  0.3348  0.5918  1
  Na  Na8  1  0.4927  0.5149  0.0062  1
  Na  Na9  1  0.4962  0.5165  0.5012  1
  Na  Na10  1  0.4977  0.1702  0.1667  1
  Na  Na11  1  0.5015  0.8389  0.3357  1
  Na  Na12  1  0.5029  0.1670  0.6765  1
  Na  Na13  1  0.5128  0.8329  0.8430  1
  Na  Na14  1  0.6345  0.3342  0.0811  1
  Na  Na15  1  0.6812  0.3453  0.4143  1
  Na  Na16  1  0.8722  0.8357  0.5917  1
  Na  Na17  1  0.9898  0.6681  0.1532  1
  Zr  Zr18  1  0.0041  0.3343  0.6881  1
  Zr  Zr19  1  0.4921  0.4946  0.8524  1
  Zr  Zr20  1  0.5038  0.8343  0.6879  1
  Zr  Zr21  1  0.9913  0.9944  0.8514  1
  Zr  Zr22  1  0.9969  0.6696  0.3158  1
  Zr  Zr23  1  0.9995  0.9949  0.1488  1
  Zn  Zn24  1  0.0026  0.9947  0.6560  1
  Zn  Zn25  1  0.0039  0.6633  0.5156  1
  Zn  Zn26  1  0.0059  0.3282  0.4836  1
  Zn  Zn27  1  0.0094  0.3356  0.9861  1
  Zn  Zn28  1  0.0118  0.9983  0.3490  1
  Zn  Zn29  1  0.4899  0.1644  0.0126  1
  Zn  Zn30  1  0.4917  0.1764  0.8176  1
  Zn  Zn31  1  0.4931  0.8342  0.1786  1
  Zn  Zn32  1  0.4939  0.8364  0.4812  1
  Zn  Zn33  1  0.4951  0.4960  0.3471  1
  Zn  Zn34  1  0.4977  0.5009  0.1506  1
  Zn  Zn35  1  0.4989  0.8299  0.9858  1
  Zn  Zn36  1  0.5029  0.4954  0.6566  1
  Zn  Zn37  1  0.5051  0.1704  0.3199  1
  Zn  Zn38  1  0.5057  0.1605  0.5127  1
  Zn  Zn39  1  0.9919  0.6773  0.8178  1
  Zn  Zn40  1  0.9987  0.6667  0.0143  1
  Zn  Zn41  1  0.9989  0.3345  0.1799  1
  Si  Si42  1  0.1577  0.8532  0.2523  1
  Si  Si43  1  0.3605  0.3459  0.7439  1
  Si  Si44  1  0.8594  0.8454  0.7437  1
  S  S45  1  0.1384  0.5213  0.9165  1
  S  S46  1  0.1450  0.4832  0.5795  1
  S  S47  1  0.1461  0.1517  0.2507  1
  S  S48  1  0.1473  0.1818  0.5819  1
  S  S49  1  0.1550  0.8124  0.9187  1
  S  S50  1  0.2007  0.1689  0.9180  1
  S  S51  1  0.2042  0.8331  0.5797  1
  S  S52  1  0.2057  0.4954  0.2512  1
  S  S53  1  0.2939  0.0030  0.7488  1
  S  S54  1  0.2979  0.3331  0.0839  1
  S  S55  1  0.3003  0.6648  0.4169  1
  S  S56  1  0.3474  0.6817  0.0845  1
  S  S57  1  0.3491  0.6444  0.7486  1
  S  S58  1  0.3503  0.3158  0.4184  1
  S  S59  1  0.3513  0.0182  0.4156  1
  S  S60  1  0.3568  0.9850  0.0832  1
  S  S61  1  0.6386  0.0209  0.9168  1
  S  S62  1  0.6447  0.6437  0.2504  1
  S  S63  1  0.6452  0.6836  0.5805  1
  S  S64  1  0.6463  0.9834  0.5797  1
  S  S65  1  0.6509  0.3497  0.2504  1
  S  S66  1  0.6559  0.3132  0.9200  1
  S  S67  1  0.7030  0.0024  0.2526  1
  S  S68  1  0.7039  0.6689  0.9186  1
  S  S69  1  0.7040  0.3338  0.5777  1
  S  S70  1  0.7888  0.8310  0.0830  1
  S  S71  1  0.7939  0.5031  0.7488  1
  S  S72  1  0.8010  0.1658  0.4166  1
  S  S73  1  0.8474  0.8168  0.4222  1
  S  S74  1  0.8486  0.5162  0.4192  1
  S  S75  1  0.8491  0.1446  0.7485  1
  S  S76  1  0.8498  0.1879  0.0822  1
  S  S77  1  0.8532  0.4818  0.0839  1
  O  O78  1  0.0693  0.5691  0.5777  1
  O  O79  1  0.0776  0.4310  0.9203  1
  O  O80  1  0.0804  0.8982  0.1934  1
  O  O81  1  0.0812  0.1153  0.3047  1
  O  O82  1  0.0814  0.7542  0.2575  1
  O  O83  1  0.0823  0.0945  0.5906  1
  O  O84  1  0.0827  0.5647  0.8637  1
  O  O85  1  0.0841  0.9039  0.9125  1
  O  O86  1  0.0841  0.2210  0.5284  1
  O  O87  1  0.0856  0.2404  0.2416  1
  O  O88  1  0.0861  0.4371  0.6341  1
  O  O89  1  0.0870  0.7752  0.9722  1
  O  O90  1  0.1002  0.0893  0.9121  1
  O  O91  1  0.1024  0.2475  0.9225  1
  O  O92  1  0.1039  0.7540  0.5797  1
  O  O93  1  0.1064  0.4196  0.2440  1
  O  O94  1  0.1071  0.0933  0.1990  1
  O  O95  1  0.1082  0.5772  0.2585  1
  O  O96  1  0.1083  0.9129  0.5822  1
  O  O97  1  0.1094  0.2413  0.6336  1
  O  O98  1  0.1121  0.5701  0.9710  1
  O  O99  1  0.1137  0.4275  0.5283  1
  O  O100  1  0.1253  0.7627  0.8653  1
  O  O101  1  0.1355  0.9169  0.3069  1
  O  O102  1  0.1713  0.3421  0.7436  1
  O  O103  1  0.1809  0.6731  0.0792  1
  O  O104  1  0.1843  0.0105  0.4152  1
  O  O105  1  0.1849  0.3285  0.4224  1
  O  O106  1  0.1850  0.9959  0.0871  1
  O  O107  1  0.1864  0.6507  0.7565  1
  O  O108  1  0.1949  0.9935  0.8015  1
  O  O109  1  0.2008  0.6713  0.3626  1
  O  O110  1  0.2035  0.6548  0.4692  1
  O  O111  1  0.2057  0.0166  0.6952  1
  O  O112  1  0.2061  0.3234  0.1375  1
  O  O113  1  0.2085  0.3432  0.0301  1
  O  O114  1  0.2883  0.1549  0.9721  1
  O  O115  1  0.2938  0.1774  0.8649  1
  O  O116  1  0.2942  0.4845  0.3050  1
  O  O117  1  0.2975  0.8373  0.5264  1
  O  O118  1  0.3001  0.8270  0.6334  1
  O  O119  1  0.3005  0.5167  0.1995  1
  O  O120  1  0.3111  0.4918  0.5836  1
  O  O121  1  0.3113  0.5126  0.9118  1
  O  O122  1  0.3148  0.1515  0.2520  1
  O  O123  1  0.3152  0.1812  0.5796  1
  O  O124  1  0.3200  0.8255  0.9238  1
  O  O125  1  0.3386  0.8385  0.2433  1
  O  O126  1  0.3768  0.7283  0.1410  1
  O  O127  1  0.3782  0.9172  0.7448  1
  O  O128  1  0.3833  0.2622  0.3660  1
  O  O129  1  0.3860  0.9293  0.0321  1
  O  O130  1  0.3861  0.5969  0.6946  1
  O  O131  1  0.3899  0.0711  0.4676  1
  O  O132  1  0.3910  0.7456  0.4177  1
  O  O133  1  0.3961  0.5861  0.4114  1
  O  O134  1  0.4002  0.4121  0.7998  1
  O  O135  1  0.4008  0.2548  0.0798  1
  O  O136  1  0.4008  0.4116  0.0879  1
  O  O137  1  0.4024  0.0735  0.7561  1
  O  O138  1  0.4075  0.0585  0.3596  1
  O  O139  1  0.4091  0.9468  0.1393  1
  O  O140  1  0.4137  0.3867  0.6817  1
  O  O141  1  0.4138  0.7277  0.0338  1
  O  O142  1  0.4148  0.2760  0.4728  1
  O  O143  1  0.4156  0.7353  0.7447  1
  O  O144  1  0.4187  0.5929  0.0873  1
  O  O145  1  0.4224  0.9296  0.4189  1
  O  O146  1  0.4228  0.0733  0.0781  1
  O  O147  1  0.4229  0.6046  0.8013  1
  O  O148  1  0.4285  0.4030  0.4130  1
  O  O149  1  0.4314  0.2508  0.7531  1
  O  O150  1  0.5695  0.0691  0.5778  1
  O  O151  1  0.5744  0.6036  0.3030  1
  O  O152  1  0.5772  0.9311  0.9212  1
  O  O153  1  0.5778  0.2616  0.2546  1
  O  O154  1  0.5800  0.5959  0.5887  1
  O  O155  1  0.5827  0.0644  0.8640  1
  O  O156  1  0.5831  0.7247  0.5276  1
  O  O157  1  0.5837  0.7332  0.2453  1
  O  O158  1  0.5837  0.4037  0.9131  1
  O  O159  1  0.5857  0.9369  0.6342  1
  O  O160  1  0.5883  0.3931  0.1973  1
  O  O161  1  0.5923  0.2779  0.9758  1
  O  O162  1  0.6003  0.0801  0.2534  1
  O  O163  1  0.6034  0.5890  0.9132  1
  O  O164  1  0.6041  0.7471  0.9231  1
  O  O165  1  0.6045  0.2548  0.5786  1
  O  O166  1  0.6081  0.7414  0.6332  1
  O  O167  1  0.6082  0.4136  0.5810  1
  O  O168  1  0.6084  0.9230  0.2463  1
  O  O169  1  0.6141  0.0710  0.9711  1
  O  O170  1  0.6172  0.9271  0.5286  1
  O  O171  1  0.6202  0.2599  0.8688  1
  O  O172  1  0.6204  0.4004  0.3054  1
  O  O173  1  0.6209  0.5923  0.1969  1
  O  O174  1  0.6706  0.8416  0.7438  1
  O  O175  1  0.6808  0.8192  0.4208  1
  O  O176  1  0.6821  0.5054  0.4137  1
  O  O177  1  0.6826  0.1796  0.0778  1
  O  O178  1  0.6833  0.4869  0.0884  1
  O  O179  1  0.6863  0.1510  0.7565  1
  O  O180  1  0.6950  0.4933  0.8016  1
  O  O181  1  0.6981  0.8238  0.1372  1
  O  O182  1  0.6991  0.8433  0.0298  1
  O  O183  1  0.7017  0.1820  0.3653  1
  O  O184  1  0.7061  0.5167  0.6951  1
  O  O185  1  0.7106  0.1563  0.4712  1
  O  O186  1  0.7931  0.3387  0.5226  1
  O  O187  1  0.7942  0.6558  0.9719  1
  O  O188  1  0.7944  0.6776  0.8648  1
  O  O189  1  0.7953  0.9955  0.3052  1
  O  O190  1  0.8011  0.0126  0.1984  1
  O  O191  1  0.8053  0.3283  0.6297  1
  O  O192  1  0.8117  0.0118  0.9118  1
  O  O193  1  0.8119  0.9924  0.5847  1
  O  O194  1  0.8135  0.6509  0.2582  1
  O  O195  1  0.8136  0.6818  0.5791  1
  O  O196  1  0.8178  0.3404  0.2456  1
  O  O197  1  0.8205  0.3260  0.9233  1
  O  O198  1  0.8775  0.2410  0.1353  1
  O  O199  1  0.8779  0.4171  0.7447  1
  O  O200  1  0.8803  0.5680  0.4718  1
  O  O201  1  0.8816  0.4254  0.0319  1
  O  O202  1  0.8864  0.0969  0.6947  1
  O  O203  1  0.8869  0.9135  0.0873  1
  O  O204  1  0.8920  0.7554  0.0789  1
  O  O205  1  0.8942  0.7599  0.3699  1
  O  O206  1  0.8949  0.2480  0.4201  1
  O  O207  1  0.8985  0.0882  0.4101  1
  O  O208  1  0.8986  0.9116  0.7996  1
  O  O209  1  0.9026  0.5733  0.7562  1
  O  O210  1  0.9052  0.7746  0.4761  1
  O  O211  1  0.9096  0.5619  0.3656  1
  O  O212  1  0.9135  0.8864  0.6818  1
  O  O213  1  0.9148  0.9040  0.4156  1
  O  O214  1  0.9148  0.4424  0.1379  1
  O  O215  1  0.9153  0.2356  0.7444  1
  O  O216  1  0.9162  0.2270  0.0289  1
  O  O217  1  0.9168  0.0981  0.0887  1
  O  O218  1  0.9172  0.5708  0.0774  1
  O  O219  1  0.9185  0.4277  0.4201  1
  O  O220  1  0.9229  0.1053  0.8013  1
  O  O221  1  0.9304  0.7505  0.7531  1
]