data_[Na21Ta4Zn8Si3P15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  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 [9.0522]
_cell_length_b [9.0658]
_cell_length_c [22.0180]
_cell_angle_alpha [89.8867]
_cell_angle_beta [89.7580]
_cell_angle_gamma [60.1588]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na21Ta4Zn8Si3(P5O24)3]
_chemical_formula_sum '[Na21 Ta4 Zn8 Si3 P15 O72]'
_cell_volume [1567.3286]
_cell_formula_units_Z [1]
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  0.0169  0.6333  0.7460  1
  Na  Na1  1  0.0176  0.3467  0.2425  1
  Na  Na2  1  0.0188  0.6901  0.4111  1
  Na  Na3  1  0.0192  0.9978  0.9941  1
  Na  Na4  1  0.2887  0.0239  0.4087  1
  Na  Na5  1  0.3215  0.3419  0.8307  1
  Na  Na6  1  0.3344  0.3450  0.3207  1
  Na  Na7  1  0.3355  0.7071  0.5853  1
  Na  Na8  1  0.3370  0.9541  0.0818  1
  Na  Na9  1  0.3474  0.0175  0.7470  1
  Na  Na10  1  0.6327  0.0152  0.2424  1
  Na  Na11  1  0.6345  0.3495  0.7456  1
  Na  Na12  1  0.6529  0.6664  0.1580  1
  Na  Na13  1  0.6682  0.6650  0.6593  1
  Na  Na14  1  0.6811  0.0233  0.9146  1
  Na  Na15  1  0.6955  0.2837  0.4119  1
  Na  Na16  1  0.7059  0.3349  0.0845  1
  Na  Na17  1  0.7096  0.9540  0.5822  1
  Na  Na18  1  0.9532  0.3373  0.5826  1
  Na  Na19  1  0.9574  0.7083  0.0848  1
  Na  Na20  1  0.9936  0.0054  0.4966  1
  Ta  Ta21  1  0.3297  0.3346  0.9788  1
  Ta  Ta22  1  0.3331  0.3310  0.4796  1
  Ta  Ta23  1  0.6644  0.6681  0.8190  1
  Ta  Ta24  1  0.6662  0.6683  0.3152  1
  Zn  Zn25  1  0.0012  0.0009  0.6556  1
  Zn  Zn26  1  0.0039  0.9971  0.1536  1
  Zn  Zn27  1  0.0141  0.9992  0.8513  1
  Zn  Zn28  1  0.3330  0.3327  0.6805  1
  Zn  Zn29  1  0.3334  0.3398  0.1809  1
  Zn  Zn30  1  0.6592  0.6686  0.0121  1
  Zn  Zn31  1  0.6738  0.6634  0.5110  1
  Zn  Zn32  1  0.9947  0.0046  0.3459  1
  Si  Si33  1  0.3626  0.9653  0.9219  1
  Si  Si34  1  0.6688  0.9613  0.4204  1
  Si  Si35  1  0.9615  0.3700  0.4201  1
  P  P36  1  0.0386  0.3350  0.0853  1
  P  P37  1  0.0400  0.6274  0.5856  1
  P  P38  1  0.2990  0.9959  0.2505  1
  P  P39  1  0.2992  0.7028  0.7497  1
  P  P40  1  0.3335  0.0378  0.5855  1
  P  P41  1  0.3347  0.6236  0.0841  1
  P  P42  1  0.3762  0.6640  0.4205  1
  P  P43  1  0.6256  0.3353  0.5851  1
  P  P44  1  0.6264  0.0411  0.0848  1
  P  P45  1  0.6658  0.3699  0.9199  1
  P  P46  1  0.7005  0.3008  0.2505  1
  P  P47  1  0.7058  0.9953  0.7514  1
  P  P48  1  0.9619  0.6654  0.9193  1
  P  P49  1  0.9957  0.3003  0.7490  1
  P  P50  1  0.9994  0.7028  0.2517  1
  O  O51  1  0.0006  0.1781  0.4107  1
  O  O52  1  0.0183  0.7835  0.3097  1
  O  O53  1  0.0256  0.1823  0.8018  1
  O  O54  1  0.0340  0.1677  0.0824  1
  O  O55  1  0.0348  0.8001  0.5827  1
  O  O56  1  0.1165  0.3608  0.1432  1
  O  O57  1  0.1230  0.5223  0.6426  1
  O  O58  1  0.1407  0.4987  0.9214  1
  O  O59  1  0.1434  0.5173  0.2476  1
  O  O60  1  0.1473  0.3708  0.4232  1
  O  O61  1  0.1505  0.3297  0.7454  1
  O  O62  1  0.1578  0.5235  0.5285  1
  O  O63  1  0.1617  0.3208  0.0296  1
  O  O64  1  0.1646  0.0355  0.5824  1
  O  O65  1  0.1681  0.7969  0.0828  1
  O  O66  1  0.1775  0.9933  0.9124  1
  O  O67  1  0.1776  0.7891  0.8019  1
  O  O68  1  0.1919  0.0214  0.3079  1
  O  O69  1  0.1975  0.8113  0.4101  1
  O  O70  1  0.2242  0.9683  0.1923  1
  O  O71  1  0.2400  0.8096  0.6902  1
  O  O72  1  0.3184  0.5217  0.0273  1
  O  O73  1  0.3194  0.1584  0.5284  1
  O  O74  1  0.3286  0.1505  0.2480  1
  O  O75  1  0.3314  0.5186  0.7456  1
  O  O76  1  0.3589  0.1193  0.6422  1
  O  O77  1  0.3625  0.5139  0.1398  1
  O  O78  1  0.3674  0.1509  0.9217  1
  O  O79  1  0.3694  0.4927  0.4230  1
  O  O80  1  0.4473  0.6952  0.4784  1
  O  O81  1  0.4539  0.8648  0.9824  1
  O  O82  1  0.4835  0.8309  0.2580  1
  O  O83  1  0.4844  0.6836  0.7603  1
  O  O84  1  0.4890  0.1522  0.4230  1
  O  O85  1  0.4899  0.8604  0.5796  1
  O  O86  1  0.4916  0.3676  0.9216  1
  O  O87  1  0.4943  0.6433  0.0790  1
  O  O88  1  0.5006  0.8616  0.8623  1
  O  O89  1  0.5011  0.6327  0.3658  1
  O  O90  1  0.5184  0.1208  0.1419  1
  O  O91  1  0.5212  0.3217  0.5282  1
  O  O92  1  0.5216  0.1470  0.7469  1
  O  O93  1  0.5217  0.3560  0.6427  1
  O  O94  1  0.5226  0.1603  0.0278  1
  O  O95  1  0.5244  0.3167  0.2452  1
  O  O96  1  0.6295  0.8666  0.3619  1
  O  O97  1  0.6418  0.4957  0.5804  1
  O  O98  1  0.6440  0.4913  0.8635  1
  O  O99  1  0.6508  0.8608  0.0800  1
  O  O100  1  0.6848  0.4833  0.2596  1
  O  O101  1  0.6900  0.8262  0.7586  1
  O  O102  1  0.6912  0.4476  0.9775  1
  O  O103  1  0.6965  0.8540  0.4810  1
  O  O104  1  0.7801  0.1954  0.3083  1
  O  O105  1  0.7878  0.0228  0.8071  1
  O  O106  1  0.7981  0.1686  0.5820  1
  O  O107  1  0.7988  0.0373  0.0826  1
  O  O108  1  0.8059  0.1899  0.9098  1
  O  O109  1  0.8150  0.9563  0.6927  1
  O  O110  1  0.8155  0.2301  0.1937  1
  O  O111  1  0.8255  0.6903  0.2582  1
  O  O112  1  0.8297  0.9888  0.4111  1
  O  O113  1  0.8306  0.4842  0.7585  1
  O  O114  1  0.8482  0.4426  0.4802  1
  O  O115  1  0.8582  0.6873  0.9767  1
  O  O116  1  0.8613  0.4934  0.0781  1
  O  O117  1  0.8619  0.5030  0.3617  1
  O  O118  1  0.8623  0.6457  0.5817  1
  O  O119  1  0.8676  0.6361  0.8625  1
  O  O120  1  0.9533  0.2370  0.6894  1
  O  O121  1  0.9593  0.8144  0.1946  1
  O  O122  1  0.9731  0.8237  0.9083  1
]