data_[Na15Nb6Al6Si9P9O72]
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
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8206]
_cell_length_b [8.8273]
_cell_length_c [22.0802]
_cell_angle_alpha [89.5439]
_cell_angle_beta [89.5416]
_cell_angle_gamma [60.1154]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5Nb2Al2Si3(PO8)3]
_chemical_formula_sum '[Na15 Nb6 Al6 Si9 P9 O72]'
_cell_volume [1490.5430]
_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  0.0016  0.0060  0.9925  1
  Na  Na1  1  0.0075  0.6283  0.7463  1
  Na  Na2  1  0.0287  0.6681  0.4153  1
  Na  Na3  1  0.2948  0.0328  0.4114  1
  Na  Na4  1  0.3303  0.3300  0.8273  1
  Na  Na5  1  0.3305  0.3393  0.3260  1
  Na  Na6  1  0.3462  0.9607  0.0819  1
  Na  Na7  1  0.6268  0.0070  0.2461  1
  Na  Na8  1  0.6468  0.6641  0.6614  1
  Na  Na9  1  0.6624  0.6490  0.1618  1
  Na  Na10  1  0.6716  0.0286  0.9160  1
  Na  Na11  1  0.6988  0.9635  0.5795  1
  Na  Na12  1  0.9585  0.3473  0.5808  1
  Na  Na13  1  0.9629  0.6999  0.0793  1
  Na  Na14  1  0.9928  0.0044  0.4937  1
  Nb  Nb15  1  0.0024  0.0001  0.1451  1
  Nb  Nb16  1  0.3297  0.3431  0.9777  1
  Nb  Nb17  1  0.3400  0.3337  0.4785  1
  Nb  Nb18  1  0.6667  0.6671  0.3113  1
  Nb  Nb19  1  0.6717  0.6595  0.8111  1
  Nb  Nb20  1  0.9996  0.0033  0.6458  1
  Al  Al21  1  0.0108  0.9950  0.8536  1
  Al  Al22  1  0.3314  0.3324  0.6865  1
  Al  Al23  1  0.3325  0.3308  0.1860  1
  Al  Al24  1  0.6639  0.6700  0.0195  1
  Al  Al25  1  0.6748  0.6594  0.5202  1
  Al  Al26  1  0.9904  0.0145  0.3532  1
  Si  Si27  1  0.0171  0.2771  0.7533  1
  Si  Si28  1  0.0429  0.6202  0.5863  1
  Si  Si29  1  0.2816  0.0140  0.2530  1
  Si  Si30  1  0.3507  0.6097  0.0873  1
  Si  Si31  1  0.6095  0.3507  0.5879  1
  Si  Si32  1  0.6180  0.0435  0.0849  1
  Si  Si33  1  0.6770  0.9520  0.4184  1
  Si  Si34  1  0.9495  0.3705  0.4197  1
  Si  Si35  1  0.9535  0.6761  0.9183  1
  P  P36  1  0.0143  0.7031  0.2524  1
  P  P37  1  0.0419  0.3416  0.0850  1
  P  P38  1  0.2847  0.7101  0.7527  1
  P  P39  1  0.3412  0.0411  0.5849  1
  P  P40  1  0.3725  0.9500  0.9184  1
  P  P41  1  0.3820  0.6707  0.4193  1
  P  P42  1  0.6772  0.3770  0.9197  1
  P  P43  1  0.7015  0.0138  0.7529  1
  P  P44  1  0.7085  0.2861  0.2517  1
  O  O45  1  0.0191  0.8182  0.5893  1
  O  O46  1  0.0284  0.7954  0.3087  1
  O  O47  1  0.0286  0.1575  0.8093  1
  O  O48  1  0.0295  0.1709  0.0890  1
  O  O49  1  0.1274  0.3703  0.1400  1
  O  O50  1  0.1324  0.4958  0.6441  1
  O  O51  1  0.1459  0.4957  0.9207  1
  O  O52  1  0.1463  0.3568  0.4217  1
  O  O53  1  0.1630  0.5312  0.5244  1
  O  O54  1  0.1635  0.3004  0.0280  1
  O  O55  1  0.1647  0.7984  0.8070  1
  O  O56  1  0.1674  0.0251  0.3118  1
  O  O57  1  0.1689  0.8094  0.0909  1
  O  O58  1  0.1702  0.0293  0.5892  1
  O  O59  1  0.1704  0.5236  0.2434  1
  O  O60  1  0.1781  0.3140  0.7444  1
  O  O61  1  0.1914  0.9708  0.9101  1
  O  O62  1  0.1950  0.9800  0.1915  1
  O  O63  1  0.1968  0.8278  0.4120  1
  O  O64  1  0.1972  0.8268  0.6951  1
  O  O65  1  0.2971  0.5317  0.0270  1
  O  O66  1  0.3007  0.1577  0.5262  1
  O  O67  1  0.3031  0.5300  0.7449  1
  O  O68  1  0.3126  0.1791  0.2444  1
  O  O69  1  0.3610  0.5047  0.4218  1
  O  O70  1  0.3615  0.4932  0.1439  1
  O  O71  1  0.3632  0.1328  0.9212  1
  O  O72  1  0.3685  0.1298  0.6390  1
  O  O73  1  0.4578  0.8452  0.9764  1
  O  O74  1  0.4667  0.6972  0.7568  1
  O  O75  1  0.4708  0.6992  0.4731  1
  O  O76  1  0.4815  0.8349  0.2548  1
  O  O77  1  0.4935  0.3594  0.6443  1
  O  O78  1  0.4941  0.6391  0.3608  1
  O  O79  1  0.4949  0.1429  0.4214  1
  O  O80  1  0.4950  0.1317  0.1434  1
  O  O81  1  0.4958  0.8610  0.8629  1
  O  O82  1  0.5014  0.8613  0.5758  1
  O  O83  1  0.5089  0.3560  0.9222  1
  O  O84  1  0.5103  0.6453  0.0750  1
  O  O85  1  0.5223  0.1705  0.7434  1
  O  O86  1  0.5287  0.3027  0.2444  1
  O  O87  1  0.5305  0.1626  0.0232  1
  O  O88  1  0.5324  0.2976  0.5273  1
  O  O89  1  0.6332  0.8672  0.3579  1
  O  O90  1  0.6412  0.5131  0.5773  1
  O  O91  1  0.6426  0.4918  0.8614  1
  O  O92  1  0.6458  0.8471  0.0768  1
  O  O93  1  0.6903  0.8400  0.7561  1
  O  O94  1  0.6928  0.4723  0.9739  1
  O  O95  1  0.6948  0.4680  0.2553  1
  O  O96  1  0.7014  0.8322  0.4772  1
  O  O97  1  0.7933  0.0283  0.8092  1
  O  O98  1  0.7975  0.1668  0.3063  1
  O  O99  1  0.8095  0.1688  0.5912  1
  O  O100  1  0.8169  0.0185  0.0893  1
  O  O101  1  0.8249  0.9710  0.6954  1
  O  O102  1  0.8253  0.1976  0.1944  1
  O  O103  1  0.8301  0.7035  0.9765  1
  O  O104  1  0.8325  0.1919  0.9120  1
  O  O105  1  0.8358  0.4785  0.7565  1
  O  O106  1  0.8388  0.6949  0.2550  1
  O  O107  1  0.8394  0.4633  0.4798  1
  O  O108  1  0.8463  0.6488  0.5787  1
  O  O109  1  0.8522  0.9634  0.4070  1
  O  O110  1  0.8589  0.5036  0.3609  1
  O  O111  1  0.8607  0.6443  0.8577  1
  O  O112  1  0.8619  0.5015  0.0753  1
  O  O113  1  0.9682  0.8507  0.9078  1
  O  O114  1  0.9732  0.8251  0.1948  1
  O  O115  1  0.9779  0.1986  0.6906  1
  O  O116  1  0.9835  0.1746  0.4108  1
]