data_[Na6Sc9Nb15P36O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8044]
_cell_length_b [15.2455]
_cell_length_c [22.8959]
_cell_angle_alpha [89.9883]
_cell_angle_beta [89.9705]
_cell_angle_gamma [89.9778]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Sc3Nb5(PO4)12]
_chemical_formula_sum '[Na6 Sc9 Nb15 P36 O144]'
_cell_volume [3073.2715]
_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  0.0008  0.6679  0.1711  1
  Na  Na1  1  0.0009  0.3322  0.8321  1
  Na  Na2  1  0.0013  0.6681  0.6709  1
  Na  Na3  1  0.4985  0.1654  0.6718  1
  Na  Na4  1  0.4991  0.1654  0.1704  1
  Na  Na5  1  0.5001  0.8336  0.3342  1
  Sc  Sc6  1  0.0004  0.6670  0.8115  1
  Sc  Sc7  1  0.0006  0.0014  0.6436  1
  Sc  Sc8  1  0.0008  0.6665  0.3122  1
  Sc  Sc9  1  0.4991  0.1668  0.3124  1
  Sc  Sc10  1  0.4994  0.1665  0.8119  1
  Sc  Sc11  1  0.4997  0.8338  0.1892  1
  Sc  Sc12  1  0.5011  0.8330  0.4813  1
  Sc  Sc13  1  0.9994  0.3329  0.9801  1
  Sc  Sc14  1  0.9998  0.3313  0.6889  1
  Nb  Nb15  1  0.0001  0.9989  0.3582  1
  Nb  Nb16  1  0.0004  0.3327  0.1915  1
  Nb  Nb17  1  0.0015  0.9982  0.1436  1
  Nb  Nb18  1  0.4989  0.5017  0.1434  1
  Nb  Nb19  1  0.4990  0.4988  0.6433  1
  Nb  Nb20  1  0.4997  0.5011  0.3584  1
  Nb  Nb21  1  0.5005  0.4990  0.8562  1
  Nb  Nb22  1  0.5006  0.8357  0.6911  1
  Nb  Nb23  1  0.5007  0.8339  0.9773  1
  Nb  Nb24  1  0.5022  0.1632  0.5214  1
  Nb  Nb25  1  0.5023  0.1683  0.0187  1
  Nb  Nb26  1  0.9971  0.6699  0.5213  1
  Nb  Nb27  1  0.9982  0.6651  0.0189  1
  Nb  Nb28  1  0.9982  0.3327  0.4784  1
  Nb  Nb29  1  0.9999  0.0012  0.8537  1
  P  P30  1  0.1411  0.8564  0.7485  1
  P  P31  1  0.1413  0.4769  0.0839  1
  P  P32  1  0.1413  0.5237  0.4169  1
  P  P33  1  0.1449  0.1449  0.7490  1
  P  P34  1  0.1454  0.1902  0.0839  1
  P  P35  1  0.1470  0.8096  0.4153  1
  P  P36  1  0.2134  0.4998  0.7500  1
  P  P37  1  0.2135  0.8317  0.0835  1
  P  P38  1  0.2142  0.1669  0.4164  1
  P  P39  1  0.2862  0.0001  0.2505  1
  P  P40  1  0.2867  0.3320  0.5835  1
  P  P41  1  0.2876  0.6664  0.9160  1
  P  P42  1  0.3532  0.3108  0.9151  1
  P  P43  1  0.3544  0.0235  0.9163  1
  P  P44  1  0.3554  0.6907  0.5842  1
  P  P45  1  0.3557  0.9761  0.5832  1
  P  P46  1  0.3573  0.6434  0.2505  1
  P  P47  1  0.3600  0.3577  0.2496  1
  P  P48  1  0.6415  0.0217  0.4147  1
  P  P49  1  0.6423  0.9774  0.0838  1
  P  P50  1  0.6427  0.3090  0.4161  1
  P  P51  1  0.6431  0.6421  0.7489  1
  P  P52  1  0.6439  0.3566  0.7497  1
  P  P53  1  0.6444  0.6908  0.0838  1
  P  P54  1  0.7130  0.6687  0.4150  1
  P  P55  1  0.7134  0.3329  0.0842  1
  P  P56  1  0.7141  0.0017  0.7484  1
  P  P57  1  0.7838  0.5009  0.2494  1
  P  P58  1  0.7859  0.8345  0.5836  1
  P  P59  1  0.7899  0.1675  0.9145  1
  P  P60  1  0.8558  0.1410  0.2494  1
  P  P61  1  0.8565  0.8567  0.2504  1
  P  P62  1  0.8568  0.1898  0.5835  1
  P  P63  1  0.8575  0.5214  0.9144  1
  P  P64  1  0.8577  0.8109  0.9156  1
  P  P65  1  0.8582  0.4770  0.5840  1
  O  O66  1  0.0660  0.2349  0.7487  1
  O  O67  1  0.0677  0.9017  0.4075  1
  O  O68  1  0.0690  0.4338  0.1388  1
  O  O69  1  0.0702  0.5604  0.3623  1
  O  O70  1  0.0715  0.7662  0.4709  1
  O  O71  1  0.0718  0.5709  0.0770  1
  O  O72  1  0.0735  0.8979  0.6950  1
  O  O73  1  0.0737  0.2275  0.0296  1
  O  O74  1  0.0744  0.0955  0.8055  1
  O  O75  1  0.0770  0.4310  0.4300  1
  O  O76  1  0.0777  0.0978  0.0966  1
  O  O77  1  0.0779  0.7641  0.7572  1
  O  O78  1  0.1055  0.7519  0.0720  1
  O  O79  1  0.1083  0.2463  0.4298  1
  O  O80  1  0.1098  0.9137  0.0917  1
  O  O81  1  0.1102  0.0856  0.4078  1
  O  O82  1  0.1136  0.9138  0.8049  1
  O  O83  1  0.1149  0.0893  0.6958  1
  O  O84  1  0.1152  0.5819  0.4717  1
  O  O85  1  0.1155  0.2488  0.1387  1
  O  O86  1  0.1163  0.7543  0.3617  1
  O  O87  1  0.1185  0.5831  0.7540  1
  O  O88  1  0.1186  0.4166  0.7461  1
  O  O89  1  0.1220  0.4232  0.0293  1
  O  O90  1  0.1789  0.6780  0.5765  1
  O  O91  1  0.1804  0.0098  0.1953  1
  O  O92  1  0.1810  0.9900  0.3051  1
  O  O93  1  0.1821  0.0114  0.9091  1
  O  O94  1  0.1838  0.3506  0.2390  1
  O  O95  1  0.1845  0.3240  0.9241  1
  O  O96  1  0.1848  0.6522  0.9716  1
  O  O97  1  0.1848  0.6483  0.2537  1
  O  O98  1  0.1867  0.3468  0.5286  1
  O  O99  1  0.1897  0.9911  0.5924  1
  O  O100  1  0.1931  0.6856  0.8630  1
  O  O101  1  0.1942  0.3146  0.6379  1
  O  O102  1  0.3061  0.8140  0.1378  1
  O  O103  1  0.3068  0.1854  0.3624  1
  O  O104  1  0.3136  0.8462  0.0287  1
  O  O105  1  0.3138  0.4901  0.0962  1
  O  O106  1  0.3152  0.1517  0.4712  1
  O  O107  1  0.3159  0.8237  0.4233  1
  O  O108  1  0.3164  0.1534  0.7574  1
  O  O109  1  0.3170  0.5118  0.4079  1
  O  O110  1  0.3188  0.8489  0.7406  1
  O  O111  1  0.3192  0.4901  0.8052  1
  O  O112  1  0.3194  0.5098  0.6954  1
  O  O113  1  0.3208  0.1786  0.0771  1
  O  O114  1  0.3813  0.9168  0.2460  1
  O  O115  1  0.3814  0.7482  0.6388  1
  O  O116  1  0.3817  0.0834  0.2537  1
  O  O117  1  0.3837  0.2544  0.8623  1
  O  O118  1  0.3855  0.0818  0.9720  1
  O  O119  1  0.3858  0.4143  0.3044  1
  O  O120  1  0.3872  0.9232  0.5286  1
  O  O121  1  0.3903  0.4139  0.5917  1
  O  O122  1  0.3904  0.5855  0.9087  1
  O  O123  1  0.3918  0.7463  0.9304  1
  O  O124  1  0.3935  0.2521  0.5720  1
  O  O125  1  0.3960  0.5856  0.1956  1
  O  O126  1  0.4221  0.5976  0.5966  1
  O  O127  1  0.4234  0.9310  0.9306  1
  O  O128  1  0.4251  0.7261  0.5290  1
  O  O129  1  0.4260  0.5951  0.3051  1
  O  O130  1  0.4260  0.4043  0.1948  1
  O  O131  1  0.4272  0.2665  0.2535  1
  O  O132  1  0.4283  0.2659  0.9711  1
  O  O133  1  0.4307  0.0601  0.8632  1
  O  O134  1  0.4326  0.4021  0.9079  1
  O  O135  1  0.4342  0.9332  0.6382  1
  O  O136  1  0.4345  0.7323  0.2462  1
  O  O137  1  0.4350  0.0701  0.5758  1
  O  O138  1  0.5662  0.7327  0.7392  1
  O  O139  1  0.5670  0.2676  0.7533  1
  O  O140  1  0.5684  0.9395  0.1378  1
  O  O141  1  0.5701  0.2669  0.4709  1
  O  O142  1  0.5718  0.5996  0.8040  1
  O  O143  1  0.5725  0.4023  0.4071  1
  O  O144  1  0.5732  0.0651  0.3613  1
  O  O145  1  0.5737  0.7331  0.0288  1
  O  O146  1  0.5744  0.5977  0.0918  1
  O  O147  1  0.5752  0.4045  0.6952  1
  O  O148  1  0.5753  0.0709  0.0722  1
  O  O149  1  0.5785  0.9299  0.4226  1
  O  O150  1  0.6055  0.7454  0.4227  1
  O  O151  1  0.6059  0.4151  0.8048  1
  O  O152  1  0.6071  0.0790  0.7566  1
  O  O153  1  0.6074  0.4123  0.0967  1
  O  O154  1  0.6077  0.5844  0.6945  1
  O  O155  1  0.6080  0.2507  0.0772  1
  O  O156  1  0.6131  0.9201  0.0289  1
  O  O157  1  0.6134  0.0806  0.4702  1
  O  O158  1  0.6135  0.5828  0.4068  1
  O  O159  1  0.6146  0.9160  0.7411  1
  O  O160  1  0.6242  0.2546  0.3617  1
  O  O161  1  0.6254  0.7459  0.1380  1
  O  O162  1  0.6803  0.1810  0.5711  1
  O  O163  1  0.6807  0.5111  0.1947  1
  O  O164  1  0.6816  0.5161  0.9073  1
  O  O165  1  0.6830  0.8159  0.6383  1
  O  O166  1  0.6839  0.4883  0.5920  1
  O  O167  1  0.6839  0.1536  0.9708  1
  O  O168  1  0.6843  0.8511  0.2459  1
  O  O169  1  0.6848  0.4850  0.3040  1
  O  O170  1  0.6849  0.8225  0.9304  1
  O  O171  1  0.6852  0.1540  0.2531  1
  O  O172  1  0.6901  0.1809  0.8617  1
  O  O173  1  0.6924  0.8440  0.5286  1
  O  O174  1  0.8037  0.3498  0.0295  1
  O  O175  1  0.8095  0.0144  0.6948  1
  O  O176  1  0.8099  0.6800  0.3611  1
  O  O177  1  0.8144  0.6528  0.7533  1
  O  O178  1  0.8146  0.6529  0.4705  1
  O  O179  1  0.8147  0.9857  0.8045  1
  O  O180  1  0.8148  0.3236  0.4290  1
  O  O181  1  0.8154  0.3179  0.1388  1
  O  O182  1  0.8162  0.3520  0.7463  1
  O  O183  1  0.8167  0.9883  0.0920  1
  O  O184  1  0.8184  0.6768  0.0725  1
  O  O185  1  0.8187  0.0159  0.4066  1
  O  O186  1  0.8717  0.2482  0.6370  1
  O  O187  1  0.8743  0.7539  0.8626  1
  O  O188  1  0.8825  0.4165  0.2389  1
  O  O189  1  0.8863  0.0825  0.9075  1
  O  O190  1  0.8868  0.4207  0.5286  1
  O  O191  1  0.8868  0.5802  0.2532  1
  O  O192  1  0.8882  0.7478  0.5755  1
  O  O193  1  0.8884  0.5810  0.9705  1
  O  O194  1  0.8920  0.0847  0.1944  1
  O  O195  1  0.8920  0.9097  0.5929  1
  O  O196  1  0.8934  0.2456  0.9240  1
  O  O197  1  0.8936  0.9151  0.3048  1
  O  O198  1  0.9222  0.4305  0.9238  1
  O  O199  1  0.9234  0.2387  0.5284  1
  O  O200  1  0.9237  0.0999  0.5867  1
  O  O201  1  0.9249  0.9046  0.1952  1
  O  O202  1  0.9249  0.5704  0.5721  1
  O  O203  1  0.9271  0.9023  0.9085  1
  O  O204  1  0.9277  0.5651  0.8617  1
  O  O205  1  0.9285  0.1006  0.3040  1
  O  O206  1  0.9288  0.7655  0.9713  1
  O  O207  1  0.9323  0.4397  0.6381  1
  O  O208  1  0.9335  0.2329  0.2388  1
  O  O209  1  0.9338  0.7673  0.2533  1
]