data_[Na18Ta6Ga18Si15S21O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  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 [8.7978]
_cell_length_b [15.0447]
_cell_length_c [22.4183]
_cell_angle_alpha [89.2912]
_cell_angle_beta [89.9494]
_cell_angle_gamma [89.9160]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Ta2Ga6Si5S7O48]
_chemical_formula_sum '[Na18 Ta6 Ga18 Si15 S21 O144]'
_cell_volume [2967.0646]
_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  0.0033  0.3350  0.1684  1
  Na  Na1  1  0.0050  0.9993  0.4946  1
  Na  Na2  1  0.0066  0.6621  0.8336  1
  Na  Na3  1  0.0069  0.6695  0.3278  1
  Na  Na4  1  0.0095  0.0045  0.9951  1
  Na  Na5  1  0.1358  0.8324  0.9120  1
  Na  Na6  1  0.3625  0.3331  0.4160  1
  Na  Na7  1  0.4921  0.1638  0.3387  1
  Na  Na8  1  0.4940  0.1707  0.8241  1
  Na  Na9  1  0.4948  0.4998  0.9926  1
  Na  Na10  1  0.4956  0.5051  0.4974  1
  Na  Na11  1  0.4958  0.8326  0.6672  1
  Na  Na12  1  0.5020  0.8272  0.1643  1
  Na  Na13  1  0.6855  0.0126  0.9110  1
  Na  Na14  1  0.6865  0.6514  0.9147  1
  Na  Na15  1  0.8134  0.1534  0.4183  1
  Na  Na16  1  0.8161  0.5129  0.4195  1
  Na  Na17  1  0.9968  0.3356  0.6594  1
  Ta  Ta18  1  0.5069  0.8351  0.3113  1
  Ta  Ta19  1  0.5099  0.5029  0.1503  1
  Ta  Ta20  1  0.5146  0.5008  0.6400  1
  Ta  Ta21  1  0.9903  0.0021  0.6504  1
  Ta  Ta22  1  0.9921  0.3371  0.8089  1
  Ta  Ta23  1  0.9960  0.0012  0.1439  1
  Ga  Ga24  1  0.0015  0.6657  0.1971  1
  Ga  Ga25  1  0.0064  0.3334  0.0195  1
  Ga  Ga26  1  0.0119  0.6591  0.9710  1
  Ga  Ga27  1  0.0134  0.6620  0.4904  1
  Ga  Ga28  1  0.0137  0.6601  0.6745  1
  Ga  Ga29  1  0.4814  0.1707  0.9836  1
  Ga  Ga30  1  0.4857  0.1721  0.1809  1
  Ga  Ga31  1  0.4860  0.1613  0.4727  1
  Ga  Ga32  1  0.4948  0.8337  0.5204  1
  Ga  Ga33  1  0.4980  0.1666  0.6954  1
  Ga  Ga34  1  0.5144  0.5017  0.3470  1
  Ga  Ga35  1  0.5147  0.8254  0.0063  1
  Ga  Ga36  1  0.5149  0.4965  0.8569  1
  Ga  Ga37  1  0.5201  0.8269  0.8154  1
  Ga  Ga38  1  0.9790  0.3348  0.5131  1
  Ga  Ga39  1  0.9812  0.3325  0.3196  1
  Ga  Ga40  1  0.9841  0.9989  0.8438  1
  Ga  Ga41  1  0.9854  0.9951  0.3602  1
  Si  Si42  1  0.1351  0.1911  0.4145  1
  Si  Si43  1  0.1482  0.1412  0.7545  1
  Si  Si44  1  0.2092  0.1742  0.0819  1
  Si  Si45  1  0.2927  0.6756  0.5829  1
  Si  Si46  1  0.3518  0.6425  0.2544  1
  Si  Si47  1  0.3604  0.6875  0.9123  1
  Si  Si48  1  0.6314  0.3571  0.7529  1
  Si  Si49  1  0.6419  0.9744  0.4224  1
  Si  Si50  1  0.6942  0.9946  0.7534  1
  Si  Si51  1  0.7002  0.3364  0.4164  1
  Si  Si52  1  0.7979  0.8368  0.9180  1
  Si  Si53  1  0.8044  0.4940  0.2541  1
  Si  Si54  1  0.8554  0.4731  0.9222  1
  Si  Si55  1  0.8650  0.8575  0.2532  1
  Si  Si56  1  0.8712  0.5173  0.5796  1
  S  S57  1  0.1433  0.8491  0.7501  1
  S  S58  1  0.1441  0.5241  0.0842  1
  S  S59  1  0.1459  0.4829  0.4162  1
  S  S60  1  0.1515  0.8096  0.0832  1
  S  S61  1  0.2077  0.8302  0.4176  1
  S  S62  1  0.2141  0.5049  0.7512  1
  S  S63  1  0.2888  0.0046  0.2505  1
  S  S64  1  0.2914  0.3312  0.9172  1
  S  S65  1  0.3545  0.3072  0.5837  1
  S  S66  1  0.3556  0.0240  0.5843  1
  S  S67  1  0.3565  0.3500  0.2496  1
  S  S68  1  0.3583  0.9822  0.9188  1
  S  S69  1  0.6386  0.0216  0.0830  1
  S  S70  1  0.6447  0.3104  0.0831  1
  S  S71  1  0.6486  0.6894  0.4188  1
  S  S72  1  0.6524  0.6453  0.7487  1
  S  S73  1  0.7131  0.6694  0.0830  1
  S  S74  1  0.7842  0.1668  0.5834  1
  S  S75  1  0.8444  0.1457  0.2479  1
  S  S76  1  0.8499  0.1893  0.9199  1
  S  S77  1  0.8561  0.8112  0.5835  1
  O  O78  1  0.0502  0.2337  0.4731  1
  O  O79  1  0.0582  0.0925  0.4051  1
  O  O80  1  0.0651  0.0959  0.6948  1
  O  O81  1  0.0655  0.7629  0.7434  1
  O  O82  1  0.0656  0.2391  0.7620  1
  O  O83  1  0.0711  0.5723  0.4212  1
  O  O84  1  0.0747  0.4440  0.3626  1
  O  O85  1  0.0773  0.4345  0.0789  1
  O  O86  1  0.0792  0.9035  0.0915  1
  O  O87  1  0.0799  0.5658  0.1372  1
  O  O88  1  0.0808  0.8890  0.8055  1
  O  O89  1  0.0818  0.7770  0.0281  1
  O  O90  1  0.0950  0.2583  0.0746  1
  O  O91  1  0.0983  0.0844  0.0926  1
  O  O92  1  0.1057  0.9092  0.6968  1
  O  O93  1  0.1065  0.7514  0.4216  1
  O  O94  1  0.1075  0.5811  0.7451  1
  O  O95  1  0.1155  0.0791  0.8119  1
  O  O96  1  0.1169  0.4202  0.7563  1
  O  O97  1  0.1180  0.9130  0.4116  1
  O  O98  1  0.1196  0.7562  0.1363  1
  O  O99  1  0.1211  0.2576  0.3559  1
  O  O100  1  0.1228  0.4266  0.4703  1
  O  O101  1  0.1234  0.5785  0.0291  1
  O  O102  1  0.1755  0.6554  0.2428  1
  O  O103  1  0.1774  0.6825  0.9219  1
  O  O104  1  0.1843  0.0121  0.5910  1
  O  O105  1  0.1896  0.3187  0.5783  1
  O  O106  1  0.1914  0.9927  0.1958  1
  O  O107  1  0.1925  0.9925  0.9145  1
  O  O108  1  0.1926  0.3420  0.2495  1
  O  O109  1  0.1933  0.6937  0.6422  1
  O  O110  1  0.1951  0.3173  0.8639  1
  O  O111  1  0.1971  0.6515  0.5238  1
  O  O112  1  0.2007  0.0182  0.3036  1
  O  O113  1  0.2008  0.3395  0.9722  1
  O  O114  1  0.3013  0.8407  0.4711  1
  O  O115  1  0.3017  0.5152  0.8055  1
  O  O116  1  0.3049  0.8178  0.3629  1
  O  O117  1  0.3058  0.4917  0.6972  1
  O  O118  1  0.3082  0.8437  0.7511  1
  O  O119  1  0.3085  0.1870  0.1418  1
  O  O120  1  0.3103  0.1476  0.0246  1
  O  O121  1  0.3126  0.4910  0.4106  1
  O  O122  1  0.3154  0.5122  0.0907  1
  O  O123  1  0.3173  0.8248  0.0776  1
  O  O124  1  0.3186  0.1827  0.4232  1
  O  O125  1  0.3242  0.1552  0.7429  1
  O  O126  1  0.3759  0.0781  0.5292  1
  O  O127  1  0.3785  0.7587  0.8571  1
  O  O128  1  0.3812  0.9199  0.2538  1
  O  O129  1  0.3818  0.9251  0.9737  1
  O  O130  1  0.3832  0.4123  0.9123  1
  O  O131  1  0.3855  0.5800  0.3109  1
  O  O132  1  0.3892  0.2539  0.6369  1
  O  O133  1  0.3942  0.2511  0.9208  1
  O  O134  1  0.3952  0.4082  0.1954  1
  O  O135  1  0.3965  0.0796  0.2413  1
  O  O136  1  0.3979  0.5846  0.5943  1
  O  O137  1  0.4095  0.7585  0.5754  1
  O  O138  1  0.4190  0.3890  0.3042  1
  O  O139  1  0.4194  0.0654  0.6374  1
  O  O140  1  0.4229  0.4009  0.5911  1
  O  O141  1  0.4229  0.9345  0.5789  1
  O  O142  1  0.4255  0.2741  0.5285  1
  O  O143  1  0.4281  0.9438  0.8655  1
  O  O144  1  0.4330  0.7408  0.2596  1
  O  O145  1  0.4344  0.5961  0.1942  1
  O  O146  1  0.4365  0.2626  0.2433  1
  O  O147  1  0.4377  0.5901  0.9038  1
  O  O148  1  0.4378  0.0709  0.9250  1
  O  O149  1  0.4457  0.7242  0.9731  1
  O  O150  1  0.5595  0.4020  0.8104  1
  O  O151  1  0.5650  0.9275  0.3621  1
  O  O152  1  0.5669  0.3994  0.0885  1
  O  O153  1  0.5708  0.2590  0.7432  1
  O  O154  1  0.5709  0.0739  0.4238  1
  O  O155  1  0.5717  0.9324  0.0801  1
  O  O156  1  0.5718  0.7315  0.7508  1
  O  O157  1  0.5795  0.2700  0.0289  1
  O  O158  1  0.5805  0.0660  0.1366  1
  O  O159  1  0.5812  0.5997  0.4130  1
  O  O160  1  0.5835  0.5997  0.6956  1
  O  O161  1  0.5837  0.4227  0.4080  1
  O  O162  1  0.5839  0.7288  0.4719  1
  O  O163  1  0.5918  0.9053  0.7569  1
  O  O164  1  0.5958  0.2484  0.4272  1
  O  O165  1  0.6012  0.0834  0.7407  1
  O  O166  1  0.6081  0.4191  0.6935  1
  O  O167  1  0.6084  0.9113  0.4785  1
  O  O168  1  0.6088  0.7479  0.0789  1
  O  O169  1  0.6093  0.7438  0.3634  1
  O  O170  1  0.6105  0.5860  0.0896  1
  O  O171  1  0.6163  0.2564  0.1379  1
  O  O172  1  0.6205  0.0747  0.0275  1
  O  O173  1  0.6275  0.5936  0.8042  1
  O  O174  1  0.6736  0.4866  0.9145  1
  O  O175  1  0.6753  0.8509  0.2594  1
  O  O176  1  0.6777  0.1531  0.2371  1
  O  O177  1  0.6797  0.5086  0.5882  1
  O  O178  1  0.6801  0.1790  0.9243  1
  O  O179  1  0.6823  0.4808  0.1948  1
  O  O180  1  0.6900  0.1748  0.6364  1
  O  O181  1  0.6915  0.8113  0.8623  1
  O  O182  1  0.6915  0.8244  0.5799  1
  O  O183  1  0.6929  0.8682  0.9749  1
  O  O184  1  0.7002  0.1527  0.5278  1
  O  O185  1  0.7028  0.5120  0.3126  1
  O  O186  1  0.7934  0.0122  0.8132  1
  O  O187  1  0.7978  0.6552  0.0275  1
  O  O188  1  0.8025  0.3097  0.3592  1
  O  O189  1  0.8049  0.3672  0.4719  1
  O  O190  1  0.8059  0.6780  0.1362  1
  O  O191  1  0.8092  0.3224  0.0799  1
  O  O192  1  0.8121  0.0123  0.0889  1
  O  O193  1  0.8163  0.6829  0.4191  1
  O  O194  1  0.8178  0.6563  0.7406  1
  O  O195  1  0.8182  0.9810  0.6958  1
  O  O196  1  0.8224  0.3506  0.7596  1
  O  O197  1  0.8244  0.9865  0.4149  1
  O  O198  1  0.8671  0.0933  0.3022  1
  O  O199  1  0.8787  0.5784  0.5188  1
  O  O200  1  0.8810  0.2436  0.8652  1
  O  O201  1  0.8859  0.7583  0.6382  1
  O  O202  1  0.8860  0.0826  0.5900  1
  O  O203  1  0.8891  0.4118  0.9797  1
  O  O204  1  0.8894  0.2430  0.5800  1
  O  O205  1  0.8900  0.9191  0.1924  1
  O  O206  1  0.8965  0.5831  0.2405  1
  O  O207  1  0.9012  0.7488  0.9293  1
  O  O208  1  0.9088  0.4053  0.2571  1
  O  O209  1  0.9148  0.9227  0.9087  1
  O  O210  1  0.9154  0.2283  0.9736  1
  O  O211  1  0.9158  0.0985  0.1941  1
  O  O212  1  0.9166  0.0993  0.9141  1
  O  O213  1  0.9213  0.2315  0.2485  1
  O  O214  1  0.9224  0.7728  0.5288  1
  O  O215  1  0.9267  0.5729  0.9233  1
  O  O216  1  0.9289  0.7602  0.2425  1
  O  O217  1  0.9314  0.5631  0.6399  1
  O  O218  1  0.9323  0.9015  0.5890  1
  O  O219  1  0.9341  0.4258  0.8631  1
  O  O220  1  0.9413  0.9057  0.3085  1
  O  O221  1  0.9438  0.4186  0.5749  1
]