data_[Na18La15Nb9P36O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  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 [9.2919]
_cell_length_b [16.1081]
_cell_length_c [23.8611]
_cell_angle_alpha [90.0748]
_cell_angle_beta [90.0742]
_cell_angle_gamma [90.0563]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6La5Nb3(PO4)12]
_chemical_formula_sum '[Na18 La15 Nb9 P36 O144]'
_cell_volume [3571.3881]
_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  0.0106  0.6665  0.8346  1
  Na  Na1  1  0.0148  0.3330  0.1673  1
  Na  Na2  1  0.3110  0.3187  0.7495  1
  Na  Na3  1  0.3678  0.9983  0.7496  1
  Na  Na4  1  0.4885  0.1667  0.3355  1
  Na  Na5  1  0.4921  0.8275  0.1673  1
  Na  Na6  1  0.4936  0.8266  0.6611  1
  Na  Na7  1  0.5006  0.5001  0.5026  1
  Na  Na8  1  0.5031  0.4978  0.0016  1
  Na  Na9  1  0.5106  0.1669  0.8353  1
  Na  Na10  1  0.6348  0.9959  0.2525  1
  Na  Na11  1  0.6903  0.3209  0.2516  1
  Na  Na12  1  0.8110  0.8185  0.7492  1
  Na  Na13  1  0.8677  0.4983  0.7499  1
  Na  Na14  1  0.9934  0.3268  0.6618  1
  Na  Na15  1  0.9979  0.0014  0.0026  1
  Na  Na16  1  0.9991  0.9994  0.5021  1
  Na  Na17  1  0.9994  0.6671  0.3349  1
  La  La18  1  0.0041  0.0022  0.1460  1
  La  La19  1  0.0085  0.3347  0.3174  1
  La  La20  1  0.0130  0.6671  0.6769  1
  La  La21  1  0.4845  0.1671  0.1807  1
  La  La22  1  0.4944  0.8284  0.8209  1
  La  La23  1  0.4967  0.8260  0.3160  1
  La  La24  1  0.4970  0.5027  0.6436  1
  La  La25  1  0.4991  0.1665  0.9817  1
  La  La26  1  0.4998  0.5001  0.1448  1
  La  La27  1  0.5002  0.1663  0.4805  1
  La  La28  1  0.5126  0.1668  0.6770  1
  La  La29  1  0.9950  0.3280  0.8211  1
  La  La30  1  0.9972  0.0026  0.6437  1
  La  La31  1  0.9977  0.6668  0.9798  1
  La  La32  1  0.9987  0.6670  0.4815  1
  Nb  Nb33  1  0.0019  0.3340  0.5128  1
  Nb  Nb34  1  0.0023  0.6662  0.1841  1
  Nb  Nb35  1  0.0038  0.9976  0.3545  1
  Nb  Nb36  1  0.4984  0.5015  0.8560  1
  Nb  Nb37  1  0.4987  0.5035  0.3541  1
  Nb  Nb38  1  0.5009  0.8346  0.5128  1
  Nb  Nb39  1  0.5017  0.8303  0.0173  1
  Nb  Nb40  1  0.9978  0.3366  0.0151  1
  Nb  Nb41  1  0.9989  0.0018  0.8568  1
  P  P42  1  0.1303  0.5157  0.0832  1
  P  P43  1  0.1339  0.1798  0.4162  1
  P  P44  1  0.1367  0.8584  0.7552  1
  P  P45  1  0.1504  0.1422  0.7552  1
  P  P46  1  0.1627  0.8072  0.0836  1
  P  P47  1  0.1631  0.4783  0.4166  1
  P  P48  1  0.1861  0.1752  0.0772  1
  P  P49  1  0.2038  0.8422  0.4166  1
  P  P50  1  0.2115  0.5017  0.7560  1
  P  P51  1  0.2914  0.0030  0.2552  1
  P  P52  1  0.2969  0.3428  0.9157  1
  P  P53  1  0.3135  0.6757  0.5773  1
  P  P54  1  0.3319  0.3180  0.5805  1
  P  P55  1  0.3384  0.6409  0.2498  1
  P  P56  1  0.3394  0.9757  0.9166  1
  P  P57  1  0.3571  0.0064  0.5804  1
  P  P58  1  0.3648  0.6789  0.9187  1
  P  P59  1  0.3656  0.3561  0.2544  1
  P  P60  1  0.6352  0.6809  0.4168  1
  P  P61  1  0.6371  0.3582  0.7549  1
  P  P62  1  0.6444  0.0070  0.0805  1
  P  P63  1  0.6507  0.6423  0.7551  1
  P  P64  1  0.6610  0.9759  0.4132  1
  P  P65  1  0.6659  0.3189  0.0804  1
  P  P66  1  0.7040  0.3430  0.4135  1
  P  P67  1  0.7086  0.6768  0.0837  1
  P  P68  1  0.7121  0.0018  0.7562  1
  P  P69  1  0.7903  0.5090  0.2508  1
  P  P70  1  0.7949  0.8428  0.9160  1
  P  P71  1  0.8133  0.1756  0.5773  1
  P  P72  1  0.8312  0.8185  0.5808  1
  P  P73  1  0.8377  0.4775  0.9146  1
  P  P74  1  0.8493  0.1419  0.2550  1
  P  P75  1  0.8567  0.5060  0.5804  1
  P  P76  1  0.8641  0.1803  0.9187  1
  P  P77  1  0.8670  0.8503  0.2502  1
  O  O78  1  0.0526  0.4285  0.0758  1
  O  O79  1  0.0545  0.7745  0.7567  1
  O  O80  1  0.0550  0.0921  0.4092  1
  O  O81  1  0.0645  0.5676  0.1361  1
  O  O82  1  0.0672  0.2312  0.4668  1
  O  O83  1  0.0795  0.9121  0.8075  1
  O  O84  1  0.0797  0.1029  0.0801  1
  O  O85  1  0.0932  0.0880  0.8074  1
  O  O86  1  0.0956  0.1030  0.7017  1
  O  O87  1  0.0959  0.2583  0.0650  1
  O  O88  1  0.0975  0.7716  0.4242  1
  O  O89  1  0.0981  0.2328  0.7572  1
  O  O90  1  0.0985  0.7708  0.0316  1
  O  O91  1  0.1008  0.4433  0.3634  1
  O  O92  1  0.1060  0.9055  0.7016  1
  O  O93  1  0.1063  0.5658  0.0312  1
  O  O94  1  0.1097  0.5663  0.4247  1
  O  O95  1  0.1102  0.8951  0.0933  1
  O  O96  1  0.1107  0.2282  0.3631  1
  O  O97  1  0.1128  0.9257  0.4106  1
  O  O98  1  0.1153  0.5800  0.7569  1
  O  O99  1  0.1154  0.4232  0.7597  1
  O  O100  1  0.1185  0.7479  0.1363  1
  O  O101  1  0.1214  0.4183  0.4669  1
  O  O102  1  0.1641  0.3236  0.5665  1
  O  O103  1  0.1661  0.6457  0.2402  1
  O  O104  1  0.1683  0.9801  0.9111  1
  O  O105  1  0.1797  0.0023  0.3068  1
  O  O106  1  0.1830  0.3516  0.9652  1
  O  O107  1  0.1952  0.9893  0.5825  1
  O  O108  1  0.2039  0.3420  0.2570  1
  O  O109  1  0.2058  0.6618  0.9259  1
  O  O110  1  0.2066  0.9968  0.2013  1
  O  O111  1  0.2102  0.6627  0.5295  1
  O  O112  1  0.2200  0.3310  0.8600  1
  O  O113  1  0.2317  0.6919  0.6334  1
  O  O114  1  0.2677  0.1921  0.1329  1
  O  O115  1  0.2871  0.1627  0.0288  1
  O  O116  1  0.2878  0.8304  0.3635  1
  O  O117  1  0.2894  0.4991  0.0918  1
  O  O118  1  0.2934  0.1631  0.4241  1
  O  O119  1  0.2989  0.4916  0.7029  1
  O  O120  1  0.3012  0.8510  0.7586  1
  O  O121  1  0.3142  0.8505  0.4672  1
  O  O122  1  0.3181  0.1415  0.7577  1
  O  O123  1  0.3212  0.5044  0.8081  1
  O  O124  1  0.3336  0.8111  0.0754  1
  O  O125  1  0.3341  0.4818  0.4093  1
  O  O126  1  0.3479  0.2715  0.6379  1
  O  O127  1  0.3785  0.5869  0.3036  1
  O  O128  1  0.3820  0.0843  0.2583  1
  O  O129  1  0.3835  0.7257  0.8645  1
  O  O130  1  0.3836  0.9137  0.9662  1
  O  O131  1  0.3873  0.4075  0.5823  1
  O  O132  1  0.3881  0.4263  0.9110  1
  O  O133  1  0.3896  0.7302  0.2558  1
  O  O134  1  0.3931  0.0656  0.5336  1
  O  O135  1  0.3947  0.0634  0.9249  1
  O  O136  1  0.3961  0.9440  0.8609  1
  O  O137  1  0.3972  0.9296  0.2575  1
  O  O138  1  0.3997  0.3998  0.2001  1
  O  O139  1  0.4007  0.2711  0.9239  1
  O  O140  1  0.4015  0.6033  0.1979  1
  O  O141  1  0.4028  0.2704  0.5336  1
  O  O142  1  0.4054  0.7567  0.5657  1
  O  O143  1  0.4187  0.6030  0.5807  1
  O  O144  1  0.4203  0.0376  0.6377  1
  O  O145  1  0.4238  0.4134  0.3053  1
  O  O146  1  0.4331  0.7305  0.9691  1
  O  O147  1  0.4336  0.9202  0.5665  1
  O  O148  1  0.4465  0.5931  0.9125  1
  O  O149  1  0.4531  0.2737  0.2584  1
  O  O150  1  0.5521  0.5949  0.4090  1
  O  O151  1  0.5545  0.2744  0.7566  1
  O  O152  1  0.5642  0.9201  0.0652  1
  O  O153  1  0.5672  0.7316  0.4669  1
  O  O154  1  0.5794  0.0373  0.1370  1
  O  O155  1  0.5795  0.4119  0.8072  1
  O  O156  1  0.5934  0.5880  0.8073  1
  O  O157  1  0.5960  0.6030  0.7017  1
  O  O158  1  0.5973  0.2717  0.0327  1
  O  O159  1  0.5984  0.7328  0.7572  1
  O  O160  1  0.5985  0.2724  0.4231  1
  O  O161  1  0.6019  0.6069  0.0924  1
  O  O162  1  0.6026  0.9419  0.3586  1
  O  O163  1  0.6062  0.4055  0.7015  1
  O  O164  1  0.6067  0.0637  0.4228  1
  O  O165  1  0.6089  0.0644  0.0326  1
  O  O166  1  0.6117  0.4085  0.0807  1
  O  O167  1  0.6131  0.4274  0.4067  1
  O  O168  1  0.6155  0.0800  0.7569  1
  O  O169  1  0.6156  0.9233  0.7598  1
  O  O170  1  0.6161  0.7285  0.3632  1
  O  O171  1  0.6166  0.7597  0.0746  1
  O  O172  1  0.6167  0.9160  0.4637  1
  O  O173  1  0.6518  0.2725  0.1372  1
  O  O174  1  0.6640  0.8241  0.5666  1
  O  O175  1  0.6674  0.4805  0.9105  1
  O  O176  1  0.6797  0.8476  0.9657  1
  O  O177  1  0.6815  0.1408  0.2573  1
  O  O178  1  0.6839  0.5196  0.3034  1
  O  O179  1  0.6946  0.4892  0.5824  1
  O  O180  1  0.7021  0.4923  0.1989  1
  O  O181  1  0.7039  0.8391  0.2573  1
  O  O182  1  0.7053  0.1621  0.9260  1
  O  O183  1  0.7102  0.1627  0.5294  1
  O  O184  1  0.7186  0.8312  0.8603  1
  O  O185  1  0.7316  0.1920  0.6334  1
  O  O186  1  0.7822  0.3308  0.3584  1
  O  O187  1  0.7934  0.6634  0.0311  1
  O  O188  1  0.7935  0.6615  0.4247  1
  O  O189  1  0.7991  0.9916  0.7030  1
  O  O190  1  0.8015  0.3508  0.7585  1
  O  O191  1  0.8053  0.9879  0.0820  1
  O  O192  1  0.8169  0.3513  0.4634  1
  O  O193  1  0.8184  0.6847  0.1359  1
  O  O194  1  0.8185  0.6415  0.7577  1
  O  O195  1  0.8216  0.0044  0.8083  1
  O  O196  1  0.8320  0.9788  0.4077  1
  O  O197  1  0.8345  0.3246  0.0652  1
  O  O198  1  0.8478  0.7717  0.6381  1
  O  O199  1  0.8825  0.2257  0.8640  1
  O  O200  1  0.8842  0.4175  0.9644  1
  O  O201  1  0.8853  0.9264  0.9118  1
  O  O202  1  0.8862  0.5897  0.2412  1
  O  O203  1  0.8868  0.4327  0.2590  1
  O  O204  1  0.8871  0.9078  0.5825  1
  O  O205  1  0.8878  0.9037  0.1988  1
  O  O206  1  0.8924  0.5652  0.5336  1
  O  O207  1  0.8926  0.5651  0.9233  1
  O  O208  1  0.8951  0.4451  0.8593  1
  O  O209  1  0.8994  0.7717  0.9241  1
  O  O210  1  0.9011  0.2325  0.2579  1
  O  O211  1  0.9023  0.7710  0.5339  1
  O  O212  1  0.9036  0.1039  0.2011  1
  O  O213  1  0.9047  0.2569  0.5655  1
  O  O214  1  0.9056  0.0839  0.3057  1
  O  O215  1  0.9188  0.1031  0.5807  1
  O  O216  1  0.9202  0.5373  0.6377  1
  O  O217  1  0.9320  0.8971  0.3037  1
  O  O218  1  0.9321  0.4196  0.5662  1
  O  O219  1  0.9322  0.2338  0.9678  1
  O  O220  1  0.9415  0.7622  0.2405  1
  O  O221  1  0.9460  0.0940  0.9124  1
]