data_[Na6Nb15Ga9P36O144]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6959]
_cell_length_b [15.0585]
_cell_length_c [22.5094]
_cell_angle_alpha [89.9634]
_cell_angle_beta [89.9728]
_cell_angle_gamma [89.9882]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Nb5Ga3(PO4)12]
_chemical_formula_sum '[Na6 Nb15 Ga9 P36 O144]'
_cell_volume [2947.5292]
_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  0.0013  0.6684  0.1734  1
  Na  Na1  1  0.0014  0.3316  0.8316  1
  Na  Na2  1  0.0020  0.6689  0.6728  1
  Na  Na3  1  0.4975  0.1649  0.6740  1
  Na  Na4  1  0.4985  0.1648  0.1723  1
  Na  Na5  1  0.5000  0.8337  0.3344  1
  Nb  Nb6  1  0.0000  0.9968  0.3587  1
  Nb  Nb7  1  0.0004  0.3327  0.1930  1
  Nb  Nb8  1  0.0021  0.9986  0.1441  1
  Nb  Nb9  1  0.4980  0.5013  0.1435  1
  Nb  Nb10  1  0.4983  0.4993  0.6437  1
  Nb  Nb11  1  0.4996  0.5032  0.3590  1
  Nb  Nb12  1  0.5003  0.8364  0.6924  1
  Nb  Nb13  1  0.5007  0.8339  0.9750  1
  Nb  Nb14  1  0.5010  0.4968  0.8565  1
  Nb  Nb15  1  0.5026  0.1681  0.0202  1
  Nb  Nb16  1  0.5037  0.1628  0.5236  1
  Nb  Nb17  1  0.9961  0.6703  0.5229  1
  Nb  Nb18  1  0.9977  0.6653  0.0206  1
  Nb  Nb19  1  0.9977  0.3312  0.4768  1
  Nb  Nb20  1  0.9999  0.0036  0.8539  1
  Ga  Ga21  1  0.0008  0.6690  0.3137  1
  Ga  Ga22  1  0.0012  0.6659  0.8117  1
  Ga  Ga23  1  0.0017  0.0008  0.6454  1
  Ga  Ga24  1  0.4984  0.1676  0.8119  1
  Ga  Ga25  1  0.4993  0.1640  0.3134  1
  Ga  Ga26  1  0.4997  0.8340  0.1897  1
  Ga  Ga27  1  0.5021  0.8349  0.4816  1
  Ga  Ga28  1  0.9992  0.3329  0.9784  1
  Ga  Ga29  1  0.9999  0.3303  0.6893  1
  P  P30  1  0.1337  0.8546  0.7483  1
  P  P31  1  0.1360  0.5262  0.4150  1
  P  P32  1  0.1389  0.4732  0.0817  1
  P  P33  1  0.1411  0.1930  0.0817  1
  P  P34  1  0.1480  0.1463  0.7468  1
  P  P35  1  0.1544  0.8063  0.4149  1
  P  P36  1  0.2050  0.4994  0.7504  1
  P  P37  1  0.2199  0.8311  0.0856  1
  P  P38  1  0.2205  0.1669  0.4144  1
  P  P39  1  0.2806  0.3314  0.5857  1
  P  P40  1  0.2819  0.6662  0.9139  1
  P  P41  1  0.2943  0.9998  0.2508  1
  P  P42  1  0.3473  0.3073  0.9144  1
  P  P43  1  0.3484  0.9727  0.5824  1
  P  P44  1  0.3523  0.6477  0.2505  1
  P  P45  1  0.3582  0.0265  0.9141  1
  P  P46  1  0.3597  0.6936  0.5822  1
  P  P47  1  0.3644  0.3535  0.2514  1
  P  P48  1  0.6349  0.0199  0.4143  1
  P  P49  1  0.6390  0.9744  0.0859  1
  P  P50  1  0.6396  0.3059  0.4140  1
  P  P51  1  0.6416  0.6943  0.0859  1
  P  P52  1  0.6483  0.3523  0.7496  1
  P  P53  1  0.6508  0.6424  0.7506  1
  P  P54  1  0.7145  0.6740  0.4145  1
  P  P55  1  0.7151  0.0068  0.7478  1
  P  P56  1  0.7198  0.3338  0.0821  1
  P  P57  1  0.7840  0.8399  0.5831  1
  P  P58  1  0.7876  0.1722  0.9135  1
  P  P59  1  0.7882  0.5054  0.2509  1
  P  P60  1  0.8480  0.1408  0.2512  1
  P  P61  1  0.8523  0.8525  0.2504  1
  P  P62  1  0.8608  0.8082  0.9132  1
  P  P63  1  0.8618  0.4739  0.5863  1
  P  P64  1  0.8639  0.1887  0.5874  1
  P  P65  1  0.8644  0.5200  0.9135  1
  O  O66  1  0.0647  0.8972  0.6936  1
  O  O67  1  0.0648  0.5644  0.3594  1
  O  O68  1  0.0672  0.4329  0.1386  1
  O  O69  1  0.0675  0.2373  0.7455  1
  O  O70  1  0.0686  0.7612  0.7568  1
  O  O71  1  0.0697  0.5687  0.0767  1
  O  O72  1  0.0702  0.2316  0.0266  1
  O  O73  1  0.0706  0.4323  0.4270  1
  O  O74  1  0.0721  0.0995  0.0940  1
  O  O75  1  0.0724  0.8990  0.4074  1
  O  O76  1  0.0745  0.7655  0.4711  1
  O  O77  1  0.0747  0.0990  0.8044  1
  O  O78  1  0.1102  0.7504  0.0757  1
  O  O79  1  0.1104  0.4149  0.7450  1
  O  O80  1  0.1105  0.9132  0.8051  1
  O  O81  1  0.1109  0.5848  0.7554  1
  O  O82  1  0.1130  0.2474  0.4265  1
  O  O83  1  0.1131  0.5831  0.4713  1
  O  O84  1  0.1147  0.0848  0.4068  1
  O  O85  1  0.1150  0.9141  0.0926  1
  O  O86  1  0.1153  0.2500  0.1385  1
  O  O87  1  0.1169  0.4192  0.0264  1
  O  O88  1  0.1194  0.0875  0.6932  1
  O  O89  1  0.1241  0.7508  0.3598  1
  O  O90  1  0.1762  0.3206  0.9236  1
  O  O91  1  0.1775  0.6519  0.2553  1
  O  O92  1  0.1797  0.9874  0.5930  1
  O  O93  1  0.1815  0.6798  0.5762  1
  O  O94  1  0.1836  0.6519  0.9714  1
  O  O95  1  0.1838  0.0140  0.9084  1
  O  O96  1  0.1847  0.3465  0.5287  1
  O  O97  1  0.1852  0.6858  0.8603  1
  O  O98  1  0.1862  0.9879  0.3055  1
  O  O99  1  0.1864  0.0121  0.1950  1
  O  O100  1  0.1865  0.3141  0.6406  1
  O  O101  1  0.1867  0.3474  0.2409  1
  O  O102  1  0.3134  0.8474  0.7409  1
  O  O103  1  0.3135  0.5144  0.4074  1
  O  O104  1  0.3136  0.5121  0.6951  1
  O  O105  1  0.3140  0.4861  0.0934  1
  O  O106  1  0.3141  0.4880  0.8056  1
  O  O107  1  0.3142  0.8134  0.1407  1
  O  O108  1  0.3142  0.1861  0.3595  1
  O  O109  1  0.3160  0.8461  0.0288  1
  O  O110  1  0.3179  0.1514  0.4709  1
  O  O111  1  0.3189  0.1806  0.0768  1
  O  O112  1  0.3223  0.1541  0.7568  1
  O  O113  1  0.3251  0.8207  0.4238  1
  O  O114  1  0.3787  0.2503  0.8604  1
  O  O115  1  0.3812  0.9195  0.5268  1
  O  O116  1  0.3826  0.7497  0.6385  1
  O  O117  1  0.3854  0.4145  0.5925  1
  O  O118  1  0.3862  0.0824  0.9716  1
  O  O119  1  0.3865  0.5845  0.9078  1
  O  O120  1  0.3873  0.7476  0.9269  1
  O  O121  1  0.3883  0.4130  0.3059  1
  O  O122  1  0.3887  0.5871  0.1951  1
  O  O123  1  0.3895  0.9151  0.2449  1
  O  O124  1  0.3895  0.0849  0.2551  1
  O  O125  1  0.3901  0.2507  0.5756  1
  O  O126  1  0.4250  0.2653  0.9715  1
  O  O127  1  0.4252  0.5993  0.3053  1
  O  O128  1  0.4281  0.5995  0.5939  1
  O  O129  1  0.4283  0.3996  0.9078  1
  O  O130  1  0.4287  0.9330  0.9270  1
  O  O131  1  0.4292  0.7308  0.5261  1
  O  O132  1  0.4299  0.0676  0.5757  1
  O  O133  1  0.4311  0.4000  0.1952  1
  O  O134  1  0.4315  0.9328  0.6382  1
  O  O135  1  0.4324  0.7373  0.2448  1
  O  O136  1  0.4328  0.2612  0.2557  1
  O  O137  1  0.4352  0.0649  0.8602  1
  O  O138  1  0.5642  0.9358  0.1407  1
  O  O139  1  0.5651  0.0627  0.3594  1
  O  O140  1  0.5679  0.2656  0.4707  1
  O  O141  1  0.5682  0.2625  0.7551  1
  O  O142  1  0.5699  0.9274  0.4231  1
  O  O143  1  0.5701  0.4006  0.4065  1
  O  O144  1  0.5710  0.6000  0.0927  1
  O  O145  1  0.5711  0.0693  0.0757  1
  O  O146  1  0.5719  0.7336  0.7413  1
  O  O147  1  0.5724  0.7343  0.0289  1
  O  O148  1  0.5744  0.4005  0.6948  1
  O  O149  1  0.5753  0.5990  0.8056  1
  O  O150  1  0.6068  0.7519  0.4232  1
  O  O151  1  0.6076  0.0856  0.7567  1
  O  O152  1  0.6111  0.4123  0.8052  1
  O  O153  1  0.6121  0.0797  0.4706  1
  O  O154  1  0.6123  0.9189  0.0290  1
  O  O155  1  0.6124  0.2509  0.0770  1
  O  O156  1  0.6126  0.4145  0.0940  1
  O  O157  1  0.6144  0.9201  0.7413  1
  O  O158  1  0.6147  0.5866  0.4070  1
  O  O159  1  0.6155  0.5845  0.6951  1
  O  O160  1  0.6202  0.2504  0.3588  1
  O  O161  1  0.6214  0.7501  0.1410  1
  O  O162  1  0.6753  0.1530  0.2554  1
  O  O163  1  0.6777  0.8478  0.2447  1
  O  O164  1  0.6824  0.8176  0.6384  1
  O  O165  1  0.6841  0.1800  0.5746  1
  O  O166  1  0.6849  0.5154  0.1949  1
  O  O167  1  0.6850  0.1555  0.9710  1
  O  O168  1  0.6852  0.4855  0.5930  1
  O  O169  1  0.6854  0.1856  0.8597  1
  O  O170  1  0.6855  0.8192  0.9269  1
  O  O171  1  0.6858  0.5143  0.9071  1
  O  O172  1  0.6866  0.4874  0.3055  1
  O  O173  1  0.6896  0.8491  0.5268  1
  O  O174  1  0.8121  0.3499  0.0267  1
  O  O175  1  0.8124  0.6855  0.3592  1
  O  O176  1  0.8130  0.0191  0.6931  1
  O  O177  1  0.8140  0.9883  0.8047  1
  O  O178  1  0.8142  0.3195  0.4259  1
  O  O179  1  0.8144  0.0139  0.4065  1
  O  O180  1  0.8144  0.6547  0.4708  1
  O  O181  1  0.8154  0.9856  0.0929  1
  O  O182  1  0.8175  0.3177  0.1386  1
  O  O183  1  0.8179  0.6800  0.0762  1
  O  O184  1  0.8226  0.3486  0.7451  1
  O  O185  1  0.8241  0.6522  0.7556  1
  O  O186  1  0.8761  0.2502  0.6403  1
  O  O187  1  0.8790  0.7496  0.8598  1
  O  O188  1  0.8838  0.0847  0.1949  1
  O  O189  1  0.8854  0.0859  0.9074  1
  O  O190  1  0.8865  0.4197  0.2407  1
  O  O191  1  0.8870  0.7517  0.5758  1
  O  O192  1  0.8876  0.4191  0.5289  1
  O  O193  1  0.8884  0.9125  0.3052  1
  O  O194  1  0.8897  0.5799  0.9709  1
  O  O195  1  0.8908  0.9168  0.5934  1
  O  O196  1  0.8912  0.5860  0.2556  1
  O  O197  1  0.8919  0.2517  0.9232  1
  O  O198  1  0.9253  0.0996  0.3057  1
  O  O199  1  0.9255  0.9004  0.1949  1
  O  O200  1  0.9270  0.2332  0.2408  1
  O  O201  1  0.9286  0.2352  0.5296  1
  O  O202  1  0.9289  0.5691  0.5758  1
  O  O203  1  0.9299  0.9013  0.9075  1
  O  O204  1  0.9303  0.7654  0.9709  1
  O  O205  1  0.9311  0.4281  0.9232  1
  O  O206  1  0.9318  0.0970  0.5917  1
  O  O207  1  0.9322  0.7624  0.2551  1
  O  O208  1  0.9361  0.5644  0.8599  1
  O  O209  1  0.9365  0.4352  0.6408  1
]