data_[Na21Nb6Al6Si15P3O72]
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 [8.9405]
_cell_length_b [8.9449]
_cell_length_c [22.1747]
_cell_angle_alpha [89.7920]
_cell_angle_beta [89.9905]
_cell_angle_gamma [60.0693]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na7Nb2Al2Si5PO24]
_chemical_formula_sum '[Na21 Nb6 Al6 Si15 P3 O72]'
_cell_volume [1536.8360]
_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  0.0373  0.3022  0.4186  1
  Na  Na1  1  0.0397  0.6576  0.9177  1
  Na  Na2  1  0.3007  0.0358  0.9193  1
  Na  Na3  1  0.3039  0.6607  0.4180  1
  Na  Na4  1  0.3251  0.7056  0.0845  1
  Na  Na5  1  0.3259  0.9706  0.5846  1
  Na  Na6  1  0.3344  0.3331  0.3374  1
  Na  Na7  1  0.3388  0.3361  0.8384  1
  Na  Na8  1  0.3701  0.6365  0.7524  1
  Na  Na9  1  0.3719  0.9912  0.2519  1
  Na  Na10  1  0.6359  0.3714  0.2519  1
  Na  Na11  1  0.6388  0.9930  0.7507  1
  Na  Na12  1  0.6600  0.0376  0.4183  1
  Na  Na13  1  0.6672  0.6742  0.1701  1
  Na  Na14  1  0.6737  0.6674  0.6697  1
  Na  Na15  1  0.7047  0.3264  0.5845  1
  Na  Na16  1  0.9715  0.3257  0.0846  1
  Na  Na17  1  0.9901  0.0033  0.0042  1
  Na  Na18  1  0.9921  0.6378  0.2515  1
  Na  Na19  1  0.9921  0.3716  0.7518  1
  Na  Na20  1  0.9979  0.9956  0.5050  1
  Nb  Nb21  1  0.0000  0.0031  0.8535  1
  Nb  Nb22  1  0.3298  0.3313  0.6866  1
  Nb  Nb23  1  0.3308  0.3304  0.1863  1
  Nb  Nb24  1  0.6663  0.6690  0.0200  1
  Nb  Nb25  1  0.6741  0.6680  0.5201  1
  Nb  Nb26  1  0.9993  0.0006  0.3530  1
  Al  Al27  1  0.0023  0.9939  0.1482  1
  Al  Al28  1  0.3271  0.3413  0.9814  1
  Al  Al29  1  0.3356  0.3275  0.4803  1
  Al  Al30  1  0.6662  0.6670  0.3141  1
  Al  Al31  1  0.6681  0.6592  0.8133  1
  Al  Al32  1  0.9933  0.0022  0.6484  1
  Si  Si33  1  0.0428  0.6328  0.0811  1
  Si  Si34  1  0.0458  0.3274  0.5805  1
  Si  Si35  1  0.2932  0.9912  0.7472  1
  Si  Si36  1  0.2945  0.7130  0.2477  1
  Si  Si37  1  0.3283  0.0467  0.0800  1
  Si  Si38  1  0.3815  0.9582  0.4147  1
  Si  Si39  1  0.3845  0.6521  0.9143  1
  Si  Si40  1  0.6307  0.0445  0.5811  1
  Si  Si41  1  0.6590  0.3817  0.4150  1
  Si  Si42  1  0.7135  0.2934  0.7474  1
  Si  Si43  1  0.7152  0.9927  0.2471  1
  Si  Si44  1  0.9575  0.3797  0.9146  1
  Si  Si45  1  0.9622  0.6588  0.4136  1
  Si  Si46  1  0.9916  0.2927  0.2468  1
  Si  Si47  1  0.9922  0.7165  0.7482  1
  P  P48  1  0.3244  0.6262  0.5811  1
  P  P49  1  0.6234  0.3240  0.0806  1
  P  P50  1  0.6593  0.9619  0.9148  1
  O  O51  1  0.0275  0.1565  0.5897  1
  O  O52  1  0.0278  0.8185  0.0909  1
  O  O53  1  0.0356  0.7963  0.8096  1
  O  O54  1  0.0364  0.1672  0.3077  1
  O  O55  1  0.1318  0.3642  0.6416  1
  O  O56  1  0.1325  0.5019  0.1411  1
  O  O57  1  0.1505  0.3543  0.9231  1
  O  O58  1  0.1520  0.4933  0.4247  1
  O  O59  1  0.1575  0.0278  0.0894  1
  O  O60  1  0.1658  0.5363  0.0242  1
  O  O61  1  0.1665  0.0362  0.8077  1
  O  O62  1  0.1671  0.7961  0.3080  1
  O  O63  1  0.1692  0.3005  0.5236  1
  O  O64  1  0.1700  0.5232  0.7436  1
  O  O65  1  0.1705  0.3078  0.2442  1
  O  O66  1  0.1710  0.8073  0.5890  1
  O  O67  1  0.1882  0.9747  0.4111  1
  O  O68  1  0.1888  0.8331  0.9109  1
  O  O69  1  0.2002  0.9636  0.6896  1
  O  O70  1  0.2026  0.8355  0.1903  1
  O  O71  1  0.3019  0.1702  0.0232  1
  O  O72  1  0.3059  0.5357  0.5255  1
  O  O73  1  0.3080  0.1700  0.7444  1
  O  O74  1  0.3113  0.5200  0.2434  1
  O  O75  1  0.3541  0.4904  0.9243  1
  O  O76  1  0.3574  0.1495  0.4232  1
  O  O77  1  0.3626  0.5080  0.6386  1
  O  O78  1  0.3647  0.1324  0.1415  1
  O  O79  1  0.4639  0.8326  0.4752  1
  O  O80  1  0.4663  0.6998  0.9745  1
  O  O81  1  0.4847  0.6902  0.2570  1
  O  O82  1  0.4852  0.8281  0.7576  1
  O  O83  1  0.4913  0.3586  0.4242  1
  O  O84  1  0.4942  0.6390  0.5781  1
  O  O85  1  0.4976  0.6405  0.8560  1
  O  O86  1  0.5002  0.8502  0.0771  1
  O  O87  1  0.5012  0.1341  0.6412  1
  O  O88  1  0.5013  0.1362  0.9244  1
  O  O89  1  0.5027  0.8660  0.3570  1
  O  O90  1  0.5088  0.3647  0.1392  1
  O  O91  1  0.5200  0.3114  0.7433  1
  O  O92  1  0.5227  0.1710  0.2437  1
  O  O93  1  0.5301  0.3058  0.0272  1
  O  O94  1  0.5338  0.1679  0.5237  1
  O  O95  1  0.6313  0.5021  0.3568  1
  O  O96  1  0.6329  0.8751  0.8591  1
  O  O97  1  0.6334  0.8575  0.5782  1
  O  O98  1  0.6384  0.4944  0.0769  1
  O  O99  1  0.6902  0.8267  0.2569  1
  O  O100  1  0.6904  0.4838  0.7568  1
  O  O101  1  0.6973  0.8375  0.9710  1
  O  O102  1  0.7012  0.4653  0.4752  1
  O  O103  1  0.7957  0.0362  0.3088  1
  O  O104  1  0.8009  0.1618  0.8064  1
  O  O105  1  0.8070  0.1720  0.0890  1
  O  O106  1  0.8170  0.0284  0.5907  1
  O  O107  1  0.8253  0.6919  0.7580  1
  O  O108  1  0.8266  0.4835  0.2562  1
  O  O109  1  0.8307  0.7025  0.4728  1
  O  O110  1  0.8309  0.9683  0.9117  1
  O  O111  1  0.8349  0.2037  0.6898  1
  O  O112  1  0.8359  0.4693  0.9753  1
  O  O113  1  0.8363  0.1888  0.4113  1
  O  O114  1  0.8426  0.9644  0.1923  1
  O  O115  1  0.8495  0.4992  0.5782  1
  O  O116  1  0.8552  0.6370  0.0775  1
  O  O117  1  0.8656  0.5043  0.8572  1
  O  O118  1  0.8690  0.6293  0.3563  1
  O  O119  1  0.9635  0.8427  0.6926  1
  O  O120  1  0.9653  0.1987  0.1894  1
  O  O121  1  0.9752  0.8366  0.4114  1
  O  O122  1  0.9792  0.1844  0.9114  1
]