data_[Na42Y9Nb15Si36O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.2869]
_cell_length_b [16.1069]
_cell_length_c [22.4247]
_cell_angle_alpha [90.0758]
_cell_angle_beta [90.0268]
_cell_angle_gamma [90.0143]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14Y3Nb5(SiO4)12]
_chemical_formula_sum '[Na42 Y9 Nb15 Si36 O144]'
_cell_volume [3354.3359]
_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  0.0007  0.3338  0.1592  1
  Na  Na1  1  0.0070  0.9923  0.4969  1
  Na  Na2  1  0.0091  0.6672  0.8363  1
  Na  Na3  1  0.1349  0.1721  0.5799  1
  Na  Na4  1  0.1365  0.5078  0.2453  1
  Na  Na5  1  0.1721  0.4804  0.5780  1
  Na  Na6  1  0.1784  0.1518  0.9195  1
  Na  Na7  1  0.1789  0.8134  0.2440  1
  Na  Na8  1  0.1911  0.1827  0.2442  1
  Na  Na9  1  0.1930  0.8451  0.5785  1
  Na  Na10  1  0.3056  0.3453  0.0781  1
  Na  Na11  1  0.3078  0.6843  0.7464  1
  Na  Na12  1  0.3192  0.3109  0.7467  1
  Na  Na13  1  0.3263  0.6480  0.4141  1
  Na  Na14  1  0.3280  0.9810  0.0773  1
  Na  Na15  1  0.3664  0.6739  0.0789  1
  Na  Na16  1  0.3666  0.3392  0.4131  1
  Na  Na17  1  0.3734  0.0048  0.7474  1
  Na  Na18  1  0.4925  0.1628  0.3323  1
  Na  Na19  1  0.4931  0.4927  0.9983  1
  Na  Na20  1  0.5000  0.8324  0.1590  1
  Na  Na21  1  0.5002  0.8325  0.6599  1
  Na  Na22  1  0.5004  0.5006  0.4941  1
  Na  Na23  1  0.5091  0.1673  0.8366  1
  Na  Na24  1  0.6251  0.0040  0.2462  1
  Na  Na25  1  0.6326  0.6751  0.5771  1
  Na  Na26  1  0.6735  0.3124  0.2471  1
  Na  Na27  1  0.6738  0.9810  0.5782  1
  Na  Na28  1  0.6781  0.6517  0.9194  1
  Na  Na29  1  0.6935  0.6806  0.2464  1
  Na  Na30  1  0.6939  0.3465  0.5781  1
  Na  Na31  1  0.8052  0.8445  0.0780  1
  Na  Na32  1  0.8075  0.1847  0.7468  1
  Na  Na33  1  0.8082  0.5146  0.4138  1
  Na  Na34  1  0.8187  0.8103  0.7468  1
  Na  Na35  1  0.8241  0.1515  0.4167  1
  Na  Na36  1  0.8275  0.4808  0.0776  1
  Na  Na37  1  0.8666  0.1743  0.0786  1
  Na  Na38  1  0.8729  0.5051  0.7470  1
  Na  Na39  1  0.9925  0.9927  0.9975  1
  Na  Na40  1  0.9984  0.6710  0.3317  1
  Na  Na41  1  0.9998  0.3336  0.6612  1
  Y  Y42  1  0.0016  0.3299  0.5150  1
  Y  Y43  1  0.4987  0.8386  0.5124  1
  Y  Y44  1  0.4996  0.8352  0.0100  1
  Y  Y45  1  0.4998  0.1666  0.6884  1
  Y  Y46  1  0.5001  0.5009  0.3488  1
  Y  Y47  1  0.5008  0.1647  0.1843  1
  Y  Y48  1  0.9995  0.3352  0.0109  1
  Y  Y49  1  0.9996  0.6687  0.1824  1
  Y  Y50  1  1.0000  0.6671  0.6872  1
  Nb  Nb51  1  0.0015  0.9972  0.3538  1
  Nb  Nb52  1  0.0037  0.6662  0.9794  1
  Nb  Nb53  1  0.4984  0.4982  0.8545  1
  Nb  Nb54  1  0.4986  0.8339  0.8161  1
  Nb  Nb55  1  0.4989  0.1635  0.4800  1
  Nb  Nb56  1  0.5002  0.5003  0.6440  1
  Nb  Nb57  1  0.5004  0.5002  0.1469  1
  Nb  Nb58  1  0.5018  0.8331  0.3157  1
  Nb  Nb59  1  0.5038  0.1663  0.9796  1
  Nb  Nb60  1  0.9976  0.6695  0.4800  1
  Nb  Nb61  1  0.9986  0.9982  0.8545  1
  Nb  Nb62  1  0.9987  0.3341  0.8162  1
  Nb  Nb63  1  0.9995  0.9998  0.6449  1
  Nb  Nb64  1  0.9996  0.3340  0.3139  1
  Nb  Nb65  1  0.9999  0.0000  0.1440  1
  Si  Si66  1  0.1365  0.1474  0.7516  1
  Si  Si67  1  0.1446  0.4856  0.4187  1
  Si  Si68  1  0.1452  0.8178  0.0837  1
  Si  Si69  1  0.1533  0.8582  0.7503  1
  Si  Si70  1  0.1534  0.5190  0.0846  1
  Si  Si71  1  0.1539  0.1823  0.4159  1
  Si  Si72  1  0.1982  0.8318  0.4176  1
  Si  Si73  1  0.2018  0.1642  0.0832  1
  Si  Si74  1  0.2111  0.4950  0.7503  1
  Si  Si75  1  0.2894  0.9951  0.2504  1
  Si  Si76  1  0.2972  0.6651  0.5846  1
  Si  Si77  1  0.3038  0.3318  0.9176  1
  Si  Si78  1  0.3443  0.3522  0.2513  1
  Si  Si79  1  0.3464  0.6828  0.9163  1
  Si  Si80  1  0.3469  0.0196  0.5867  1
  Si  Si81  1  0.3510  0.9859  0.9173  1
  Si  Si82  1  0.3575  0.6533  0.2512  1
  Si  Si83  1  0.3582  0.3157  0.5851  1
  Si  Si84  1  0.6368  0.6472  0.7515  1
  Si  Si85  1  0.6445  0.3161  0.0855  1
  Si  Si86  1  0.6493  0.9849  0.4173  1
  Si  Si87  1  0.6521  0.0180  0.0851  1
  Si  Si88  1  0.6532  0.3585  0.7501  1
  Si  Si89  1  0.6556  0.6862  0.4191  1
  Si  Si90  1  0.6982  0.3296  0.4184  1
  Si  Si91  1  0.6999  0.6647  0.0840  1
  Si  Si92  1  0.7109  0.9948  0.7507  1
  Si  Si93  1  0.7967  0.1631  0.5861  1
  Si  Si94  1  0.8007  0.4960  0.2513  1
  Si  Si95  1  0.8038  0.8318  0.9175  1
  Si  Si96  1  0.8458  0.8577  0.2496  1
  Si  Si97  1  0.8467  0.1829  0.9165  1
  Si  Si98  1  0.8484  0.5197  0.5851  1
  Si  Si99  1  0.8509  0.4857  0.9175  1
  Si  Si100  1  0.8540  0.8169  0.5865  1
  Si  Si101  1  0.8609  0.1462  0.2516  1
  O  O102  1  0.0540  0.5743  0.4202  1
  O  O103  1  0.0541  0.9074  0.0850  1
  O  O104  1  0.0558  0.2395  0.7547  1
  O  O105  1  0.0682  0.0985  0.6912  1
  O  O106  1  0.0689  0.7610  0.0287  1
  O  O107  1  0.0716  0.4297  0.3607  1
  O  O108  1  0.0775  0.2124  0.4767  1
  O  O109  1  0.0820  0.7667  0.7529  1
  O  O110  1  0.0854  0.0897  0.4043  1
  O  O111  1  0.0875  0.9094  0.4048  1
  O  O112  1  0.0882  0.9129  0.8052  1
  O  O113  1  0.0898  0.5560  0.1458  1
  O  O114  1  0.0913  0.4258  0.0784  1
  O  O115  1  0.0921  0.2418  0.0786  1
  O  O116  1  0.0932  0.0897  0.8082  1
  O  O117  1  0.1051  0.5839  0.0288  1
  O  O118  1  0.1094  0.5765  0.7526  1
  O  O119  1  0.1105  0.0743  0.0862  1
  O  O120  1  0.1122  0.7415  0.4199  1
  O  O121  1  0.1129  0.2501  0.3608  1
  O  O122  1  0.1143  0.4085  0.7557  1
  O  O123  1  0.1154  0.9152  0.6894  1
  O  O124  1  0.1219  0.4317  0.4781  1
  O  O125  1  0.1251  0.7697  0.1459  1
  O  O126  1  0.1643  0.3512  0.2526  1
  O  O127  1  0.1670  0.0213  0.5863  1
  O  O128  1  0.1705  0.6782  0.9215  1
  O  O129  1  0.1739  0.0027  0.3051  1
  O  O130  1  0.1773  0.0032  0.9065  1
  O  O131  1  0.1785  0.3199  0.8623  1
  O  O132  1  0.1817  0.6541  0.5270  1
  O  O133  1  0.1840  0.9845  0.1896  1
  O  O134  1  0.1868  0.6700  0.2463  1
  O  O135  1  0.1870  0.3319  0.5801  1
  O  O136  1  0.2089  0.6794  0.6459  1
  O  O137  1  0.2224  0.3479  0.9793  1
  O  O138  1  0.2761  0.8499  0.4799  1
  O  O139  1  0.2913  0.1765  0.1441  1
  O  O140  1  0.3097  0.1584  0.7533  1
  O  O141  1  0.3152  0.5026  0.4142  1
  O  O142  1  0.3153  0.4840  0.6894  1
  O  O143  1  0.3158  0.1537  0.0254  1
  O  O144  1  0.3159  0.8330  0.0765  1
  O  O145  1  0.3220  0.8199  0.3626  1
  O  O146  1  0.3259  0.5022  0.8051  1
  O  O147  1  0.3311  0.1827  0.4206  1
  O  O148  1  0.3316  0.8532  0.7544  1
  O  O149  1  0.3335  0.5192  0.0866  1
  O  O150  1  0.3645  0.9372  0.9789  1
  O  O151  1  0.3792  0.6025  0.3118  1
  O  O152  1  0.3802  0.2645  0.6461  1
  O  O153  1  0.3848  0.9088  0.2563  1
  O  O154  1  0.3873  0.5747  0.5869  1
  O  O155  1  0.3889  0.4162  0.1940  1
  O  O156  1  0.3895  0.7487  0.8598  1
  O  O157  1  0.3917  0.0760  0.2522  1
  O  O158  1  0.3922  0.2429  0.9193  1
  O  O159  1  0.3953  0.0835  0.5300  1
  O  O160  1  0.4069  0.7424  0.5788  1
  O  O161  1  0.4069  0.2588  0.2469  1
  O  O162  1  0.4075  0.9263  0.5814  1
  O  O163  1  0.4081  0.3892  0.3121  1
  O  O164  1  0.4108  0.0563  0.6481  1
  O  O165  1  0.4113  0.4107  0.9052  1
  O  O166  1  0.4163  0.5902  0.9046  1
  O  O167  1  0.4262  0.9297  0.8612  1
  O  O168  1  0.4273  0.7144  0.9754  1
  O  O169  1  0.4291  0.2627  0.5270  1
  O  O170  1  0.4294  0.0779  0.9195  1
  O  O171  1  0.4302  0.5975  0.1939  1
  O  O172  1  0.4475  0.4059  0.5863  1
  O  O173  1  0.4488  0.7428  0.2524  1
  O  O174  1  0.5540  0.4059  0.0878  1
  O  O175  1  0.5560  0.7394  0.7549  1
  O  O176  1  0.5681  0.5984  0.6913  1
  O  O177  1  0.5684  0.2605  0.0297  1
  O  O178  1  0.5687  0.0771  0.4202  1
  O  O179  1  0.5740  0.9302  0.3613  1
  O  O180  1  0.5817  0.2670  0.7532  1
  O  O181  1  0.5853  0.7240  0.4783  1
  O  O182  1  0.5882  0.4130  0.8052  1
  O  O183  1  0.5883  0.0510  0.1477  1
  O  O184  1  0.5889  0.7413  0.0774  1
  O  O185  1  0.5896  0.4072  0.4142  1
  O  O186  1  0.5917  0.9248  0.0778  1
  O  O187  1  0.5934  0.5897  0.8083  1
  O  O188  1  0.5953  0.5922  0.4144  1
  O  O189  1  0.6035  0.0840  0.0301  1
  O  O190  1  0.6074  0.7480  0.3604  1
  O  O191  1  0.6077  0.2405  0.4197  1
  O  O192  1  0.6094  0.0763  0.7533  1
  O  O193  1  0.6113  0.5738  0.0874  1
  O  O194  1  0.6144  0.9085  0.7558  1
  O  O195  1  0.6155  0.4152  0.6893  1
  O  O196  1  0.6263  0.2655  0.1473  1
  O  O197  1  0.6361  0.9385  0.4798  1
  O  O198  1  0.6679  0.5204  0.5866  1
  O  O199  1  0.6681  0.8547  0.2549  1
  O  O200  1  0.6708  0.1780  0.9218  1
  O  O201  1  0.6773  0.5031  0.9067  1
  O  O202  1  0.6783  0.8200  0.8624  1
  O  O203  1  0.6816  0.1540  0.5279  1
  O  O204  1  0.6819  0.4866  0.1938  1
  O  O205  1  0.6837  0.8339  0.5802  1
  O  O206  1  0.6877  0.1571  0.2528  1
  O  O207  1  0.7079  0.1772  0.6469  1
  O  O208  1  0.7136  0.5092  0.3121  1
  O  O209  1  0.7231  0.8482  0.9793  1
  O  O210  1  0.7848  0.6811  0.1458  1
  O  O211  1  0.7884  0.3415  0.4788  1
  O  O212  1  0.8102  0.6578  0.7529  1
  O  O213  1  0.8151  0.3317  0.0776  1
  O  O214  1  0.8153  0.9842  0.6898  1
  O  O215  1  0.8165  0.6540  0.0268  1
  O  O216  1  0.8182  0.3200  0.3609  1
  O  O217  1  0.8226  0.0039  0.4067  1
  O  O218  1  0.8262  0.0022  0.8052  1
  O  O219  1  0.8315  0.3532  0.7545  1
  O  O220  1  0.8322  0.0201  0.0857  1
  O  O221  1  0.8340  0.6829  0.4215  1
  O  O222  1  0.8649  0.4368  0.9790  1
  O  O223  1  0.8753  0.7666  0.6481  1
  O  O224  1  0.8851  0.9149  0.1890  1
  O  O225  1  0.8858  0.0729  0.5869  1
  O  O226  1  0.8887  0.4053  0.2528  1
  O  O227  1  0.8897  0.2487  0.8599  1
  O  O228  1  0.8912  0.5830  0.5278  1
  O  O229  1  0.8916  0.7428  0.9191  1
  O  O230  1  0.9052  0.0889  0.3085  1
  O  O231  1  0.9077  0.4256  0.5796  1
  O  O232  1  0.9091  0.2395  0.5822  1
  O  O233  1  0.9103  0.5736  0.2466  1
  O  O234  1  0.9116  0.9107  0.9051  1
  O  O235  1  0.9121  0.9122  0.3049  1
  O  O236  1  0.9145  0.7658  0.2517  1
  O  O237  1  0.9145  0.5561  0.6464  1
  O  O238  1  0.9165  0.0903  0.9047  1
  O  O239  1  0.9263  0.4297  0.8613  1
  O  O240  1  0.9276  0.2145  0.9756  1
  O  O241  1  0.9287  0.5779  0.9196  1
  O  O242  1  0.9303  0.0981  0.1913  1
  O  O243  1  0.9305  0.7610  0.5308  1
  O  O244  1  0.9428  0.2376  0.2561  1
  O  O245  1  0.9466  0.9060  0.5868  1
]