data_[Na18Nb9Ga15Si18S18O144]
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
  Ga  1.8100  1.3000  0.7600
  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 [8.7637]
_cell_length_b [15.2618]
_cell_length_c [22.4975]
_cell_angle_alpha [90.0709]
_cell_angle_beta [90.2107]
_cell_angle_gamma [90.2755]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Nb3Ga5Si6(SO8)6]
_chemical_formula_sum '[Na18 Nb9 Ga15 Si18 S18 O144]'
_cell_volume [3008.9759]
_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  0.0001  0.9958  0.9967  1
  Na  Na1  1  0.0004  0.3355  0.3309  1
  Na  Na2  1  0.0030  0.6640  0.6623  1
  Na  Na3  1  0.0046  0.3336  0.8262  1
  Na  Na4  1  0.0081  0.6666  0.1646  1
  Na  Na5  1  0.0092  0.9901  0.4946  1
  Na  Na6  1  0.1378  0.1653  0.4143  1
  Na  Na7  1  0.1871  0.4847  0.4162  1
  Na  Na8  1  0.4972  0.8322  0.8298  1
  Na  Na9  1  0.4978  0.8364  0.3330  1
  Na  Na10  1  0.4981  0.1595  0.1628  1
  Na  Na11  1  0.4990  0.1683  0.6679  1
  Na  Na12  1  0.4992  0.5006  0.9918  1
  Na  Na13  1  0.5052  0.4960  0.4958  1
  Na  Na14  1  0.6349  0.6669  0.4184  1
  Na  Na15  1  0.6862  0.9793  0.4124  1
  Na  Na16  1  0.8056  0.4821  0.9134  1
  Na  Na17  1  0.8562  0.1661  0.9139  1
  Nb  Nb18  1  0.0051  0.6627  0.3177  1
  Nb  Nb19  1  0.0053  0.0052  0.6472  1
  Nb  Nb20  1  0.0053  0.0049  0.1468  1
  Nb  Nb21  1  0.4862  0.1590  0.3105  1
  Nb  Nb22  1  0.4875  0.5058  0.1444  1
  Nb  Nb23  1  0.4954  0.8333  0.9777  1
  Nb  Nb24  1  0.4960  0.5003  0.6509  1
  Nb  Nb25  1  0.5137  0.1665  0.8084  1
  Nb  Nb26  1  0.9929  0.6634  0.8089  1
  Ga  Ga27  1  0.0009  0.3353  0.6942  1
  Ga  Ga28  1  0.0012  0.3399  0.4790  1
  Ga  Ga29  1  0.0014  0.9948  0.3503  1
  Ga  Ga30  1  0.0025  0.6681  0.0181  1
  Ga  Ga31  1  0.0107  0.3336  0.1910  1
  Ga  Ga32  1  0.4827  0.8315  0.6891  1
  Ga  Ga33  1  0.4891  0.4951  0.3583  1
  Ga  Ga34  1  0.4908  0.1696  0.5129  1
  Ga  Ga35  1  0.4920  0.8440  0.1812  1
  Ga  Ga36  1  0.4982  0.8336  0.4740  1
  Ga  Ga37  1  0.5089  0.4987  0.8499  1
  Ga  Ga38  1  0.5092  0.1577  0.0126  1
  Ga  Ga39  1  0.9951  0.3317  0.9807  1
  Ga  Ga40  1  0.9965  0.6670  0.5070  1
  Ga  Ga41  1  0.9988  0.0048  0.8490  1
  Si  Si42  1  0.1322  0.1475  0.2535  1
  Si  Si43  1  0.2050  0.4996  0.2531  1
  Si  Si44  1  0.2914  0.9957  0.7552  1
  Si  Si45  1  0.2936  0.6679  0.4211  1
  Si  Si46  1  0.3441  0.6956  0.0847  1
  Si  Si47  1  0.3469  0.0185  0.4207  1
  Si  Si48  1  0.3515  0.3574  0.7542  1
  Si  Si49  1  0.3568  0.3114  0.4199  1
  Si  Si50  1  0.3606  0.9859  0.0823  1
  Si  Si51  1  0.3645  0.6467  0.7539  1
  Si  Si52  1  0.6378  0.3129  0.9223  1
  Si  Si53  1  0.6545  0.0200  0.9155  1
  Si  Si54  1  0.7082  0.9927  0.2514  1
  Si  Si55  1  0.7105  0.6649  0.9202  1
  Si  Si56  1  0.7868  0.4950  0.7512  1
  Si  Si57  1  0.8470  0.5167  0.4194  1
  Si  Si58  1  0.8609  0.8158  0.4187  1
  Si  Si59  1  0.8631  0.1474  0.7513  1
  S  S60  1  0.1389  0.8128  0.9165  1
  S  S61  1  0.1404  0.4794  0.5831  1
  S  S62  1  0.1471  0.8543  0.2500  1
  S  S63  1  0.1474  0.1918  0.5825  1
  S  S64  1  0.1486  0.5213  0.9192  1
  S  S65  1  0.2103  0.1678  0.9185  1
  S  S66  1  0.2104  0.8303  0.5823  1
  S  S67  1  0.2845  0.3309  0.0825  1
  S  S68  1  0.6399  0.9784  0.5828  1
  S  S69  1  0.6420  0.6470  0.2504  1
  S  S70  1  0.6470  0.6914  0.5832  1
  S  S71  1  0.6473  0.3570  0.2497  1
  S  S72  1  0.7134  0.3301  0.5819  1
  S  S73  1  0.7876  0.1693  0.4191  1
  S  S74  1  0.7901  0.8309  0.0841  1
  S  S75  1  0.8520  0.8568  0.7494  1
  S  S76  1  0.8548  0.1928  0.0843  1
  S  S77  1  0.8596  0.4763  0.0842  1
  O  O78  1  0.0587  0.2419  0.2422  1
  O  O79  1  0.0678  0.4337  0.9242  1
  O  O80  1  0.0682  0.7677  0.2532  1
  O  O81  1  0.0691  0.1018  0.3126  1
  O  O82  1  0.0721  0.5619  0.8649  1
  O  O83  1  0.0725  0.5675  0.5788  1
  O  O84  1  0.0728  0.9004  0.9113  1
  O  O85  1  0.0732  0.0991  0.5875  1
  O  O86  1  0.0768  0.4350  0.6355  1
  O  O87  1  0.0776  0.7725  0.9711  1
  O  O88  1  0.0779  0.2266  0.5271  1
  O  O89  1  0.0786  0.8969  0.1957  1
  O  O90  1  0.0969  0.4158  0.2418  1
  O  O91  1  0.1034  0.5904  0.2536  1
  O  O92  1  0.1075  0.0894  0.9137  1
  O  O93  1  0.1078  0.2475  0.9249  1
  O  O94  1  0.1091  0.9114  0.5894  1
  O  O95  1  0.1116  0.7521  0.5784  1
  O  O96  1  0.1137  0.2431  0.6356  1
  O  O97  1  0.1150  0.7578  0.8628  1
  O  O98  1  0.1156  0.0836  0.1934  1
  O  O99  1  0.1192  0.5754  0.9726  1
  O  O100  1  0.1196  0.4261  0.5273  1
  O  O101  1  0.1227  0.9075  0.3038  1
  O  O102  1  0.1630  0.6763  0.0742  1
  O  O103  1  0.1652  0.0163  0.4097  1
  O  O104  1  0.1681  0.3154  0.4252  1
  O  O105  1  0.1691  0.9879  0.0883  1
  O  O106  1  0.1740  0.3450  0.7405  1
  O  O107  1  0.1758  0.6587  0.7602  1
  O  O108  1  0.1777  0.0105  0.6938  1
  O  O109  1  0.1786  0.9773  0.8101  1
  O  O110  1  0.1842  0.6845  0.3605  1
  O  O111  1  0.1863  0.6409  0.4765  1
  O  O112  1  0.1901  0.3497  0.0285  1
  O  O113  1  0.1903  0.3211  0.1366  1
  O  O114  1  0.3003  0.1826  0.8645  1
  O  O115  1  0.3010  0.1538  0.9729  1
  O  O116  1  0.3036  0.8201  0.6371  1
  O  O117  1  0.3042  0.8487  0.5294  1
  O  O118  1  0.3105  0.8194  0.9205  1
  O  O119  1  0.3112  0.5121  0.9127  1
  O  O120  1  0.3131  0.8434  0.2444  1
  O  O121  1  0.3132  0.4875  0.5871  1
  O  O122  1  0.3134  0.4850  0.3097  1
  O  O123  1  0.3146  0.1778  0.5792  1
  O  O124  1  0.3200  0.5131  0.1934  1
  O  O125  1  0.3225  0.1558  0.2545  1
  O  O126  1  0.3746  0.0842  0.4765  1
  O  O127  1  0.3794  0.4182  0.8107  1
  O  O128  1  0.3806  0.5835  0.6923  1
  O  O129  1  0.3834  0.2552  0.0775  1
  O  O130  1  0.3850  0.0880  0.7572  1
  O  O131  1  0.3857  0.7490  0.1442  1
  O  O132  1  0.3859  0.4131  0.0892  1
  O  O133  1  0.3861  0.2464  0.3611  1
  O  O134  1  0.3892  0.9182  0.0255  1
  O  O135  1  0.3985  0.5825  0.4101  1
  O  O136  1  0.4016  0.7532  0.4239  1
  O  O137  1  0.4025  0.9144  0.7416  1
  O  O138  1  0.4226  0.4093  0.4130  1
  O  O139  1  0.4286  0.0842  0.0733  1
  O  O140  1  0.4297  0.5947  0.0914  1
  O  O141  1  0.4304  0.7336  0.0254  1
  O  O142  1  0.4313  0.9429  0.1412  1
  O  O143  1  0.4324  0.2606  0.7582  1
  O  O144  1  0.4337  0.6013  0.8111  1
  O  O145  1  0.4352  0.4013  0.6927  1
  O  O146  1  0.4353  0.0650  0.3609  1
  O  O147  1  0.4362  0.2715  0.4784  1
  O  O148  1  0.4387  0.9276  0.4245  1
  O  O149  1  0.4395  0.7415  0.7414  1
  O  O150  1  0.5656  0.2646  0.9798  1
  O  O151  1  0.5683  0.0658  0.8584  1
  O  O152  1  0.5712  0.4103  0.9143  1
  O  O153  1  0.5714  0.9243  0.9238  1
  O  O154  1  0.5728  0.7329  0.2420  1
  O  O155  1  0.5731  0.6014  0.5880  1
  O  O156  1  0.5756  0.2684  0.2550  1
  O  O157  1  0.5763  0.9366  0.6366  1
  O  O158  1  0.5769  0.3983  0.1954  1
  O  O159  1  0.5772  0.0687  0.5776  1
  O  O160  1  0.5787  0.7298  0.5283  1
  O  O161  1  0.5800  0.6052  0.3039  1
  O  O162  1  0.5999  0.9070  0.2425  1
  O  O163  1  0.6064  0.5788  0.9128  1
  O  O164  1  0.6094  0.7546  0.9244  1
  O  O165  1  0.6110  0.0869  0.2568  1
  O  O166  1  0.6137  0.5880  0.1959  1
  O  O167  1  0.6139  0.4108  0.5860  1
  O  O168  1  0.6147  0.2498  0.5769  1
  O  O169  1  0.6151  0.7457  0.6367  1
  O  O170  1  0.6175  0.9257  0.5279  1
  O  O171  1  0.6193  0.2470  0.8630  1
  O  O172  1  0.6237  0.4107  0.3031  1
  O  O173  1  0.6399  0.0819  0.9737  1
  O  O174  1  0.6679  0.5150  0.4049  1
  O  O175  1  0.6748  0.8212  0.4239  1
  O  O176  1  0.6754  0.1510  0.7519  1
  O  O177  1  0.6824  0.5189  0.6917  1
  O  O178  1  0.6877  0.8449  0.7403  1
  O  O179  1  0.6882  0.4842  0.0908  1
  O  O180  1  0.6889  0.1822  0.0803  1
  O  O181  1  0.6924  0.1515  0.4726  1
  O  O182  1  0.6953  0.1833  0.3646  1
  O  O183  1  0.6961  0.8472  0.0299  1
  O  O184  1  0.6987  0.8168  0.1379  1
  O  O185  1  0.7010  0.4829  0.8128  1
  O  O186  1  0.8075  0.3194  0.6359  1
  O  O187  1  0.8082  0.3443  0.5275  1
  O  O188  1  0.8089  0.9829  0.3114  1
  O  O189  1  0.8124  0.6531  0.2522  1
  O  O190  1  0.8137  0.3469  0.2411  1
  O  O191  1  0.8137  0.9861  0.5890  1
  O  O192  1  0.8151  0.6805  0.5798  1
  O  O193  1  0.8217  0.0100  0.1926  1
  O  O194  1  0.8257  0.6808  0.8615  1
  O  O195  1  0.8265  0.6477  0.9758  1
  O  O196  1  0.8318  0.3209  0.9263  1
  O  O197  1  0.8401  0.0101  0.9076  1
  O  O198  1  0.8665  0.5816  0.4760  1
  O  O199  1  0.8769  0.9076  0.8039  1
  O  O200  1  0.8814  0.4246  0.0283  1
  O  O201  1  0.8831  0.7490  0.3596  1
  O  O202  1  0.8853  0.0901  0.4142  1
  O  O203  1  0.8888  0.0806  0.6925  1
  O  O204  1  0.8888  0.2472  0.4255  1
  O  O205  1  0.8891  0.9114  0.0889  1
  O  O206  1  0.8897  0.7533  0.0771  1
  O  O207  1  0.8901  0.2468  0.1370  1
  O  O208  1  0.8949  0.5869  0.7557  1
  O  O209  1  0.8993  0.4158  0.7405  1
  O  O210  1  0.9251  0.8967  0.6954  1
  O  O211  1  0.9258  0.4328  0.1369  1
  O  O212  1  0.9260  0.5650  0.0797  1
  O  O213  1  0.9265  0.2279  0.0289  1
  O  O214  1  0.9272  0.1024  0.0892  1
  O  O215  1  0.9273  0.9142  0.4106  1
  O  O216  1  0.9294  0.7688  0.7541  1
  O  O217  1  0.9303  0.1059  0.8112  1
  O  O218  1  0.9324  0.2414  0.7395  1
  O  O219  1  0.9358  0.4237  0.4233  1
  O  O220  1  0.9368  0.7728  0.4771  1
  O  O221  1  0.9395  0.5636  0.3612  1
]