data_[Na15Zr12Si9P9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  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 [9.1389]
_cell_length_b [9.1449]
_cell_length_c [23.2922]
_cell_angle_alpha [89.9826]
_cell_angle_beta [89.9778]
_cell_angle_gamma [60.0282]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5Zr4Si3(PO8)3]
_chemical_formula_sum '[Na15 Zr12 Si9 P9 O72]'
_cell_volume [1686.2968]
_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  0.9987  0.0007  1
  Na  Na1  1  0.0019  0.9929  0.5001  1
  Na  Na2  1  0.0283  0.6687  0.0816  1
  Na  Na3  1  0.0350  0.3020  0.5855  1
  Na  Na4  1  0.3344  0.3317  0.6673  1
  Na  Na5  1  0.3346  0.3262  0.1664  1
  Na  Na6  1  0.3382  0.9644  0.4154  1
  Na  Na7  1  0.6314  0.0002  0.2495  1
  Na  Na8  1  0.6564  0.6598  0.8324  1
  Na  Na9  1  0.6610  0.6545  0.3330  1
  Na  Na10  1  0.6646  0.0282  0.5825  1
  Na  Na11  1  0.7021  0.9689  0.9186  1
  Na  Na12  1  0.9654  0.3383  0.9149  1
  Na  Na13  1  0.9685  0.7013  0.4186  1
  Na  Na14  1  0.9993  0.6303  0.7499  1
  Zr  Zr15  1  0.0006  0.0014  0.3512  1
  Zr  Zr16  1  0.0008  0.0084  0.1475  1
  Zr  Zr17  1  0.0009  0.0007  0.8516  1
  Zr  Zr18  1  0.0113  0.9946  0.6485  1
  Zr  Zr19  1  0.3335  0.3347  0.3141  1
  Zr  Zr20  1  0.3337  0.3330  0.8146  1
  Zr  Zr21  1  0.3344  0.3410  0.5183  1
  Zr  Zr22  1  0.3450  0.3279  0.0191  1
  Zr  Zr23  1  0.6585  0.6711  0.1857  1
  Zr  Zr24  1  0.6596  0.6715  0.4816  1
  Zr  Zr25  1  0.6658  0.6660  0.9820  1
  Zr  Zr26  1  0.6662  0.6654  0.6854  1
  Si  Si27  1  0.0426  0.6263  0.9178  1
  Si  Si28  1  0.2938  0.0014  0.2507  1
  Si  Si29  1  0.3351  0.6264  0.4151  1
  Si  Si30  1  0.3722  0.9609  0.5832  1
  Si  Si31  1  0.6260  0.3356  0.9154  1
  Si  Si32  1  0.6282  0.0417  0.4167  1
  Si  Si33  1  0.6660  0.9616  0.0840  1
  Si  Si34  1  0.9597  0.6673  0.5834  1
  Si  Si35  1  0.9998  0.2958  0.7501  1
  P  P36  1  0.0006  0.7077  0.2487  1
  P  P37  1  0.0422  0.3337  0.4172  1
  P  P38  1  0.2937  0.7070  0.7509  1
  P  P39  1  0.3336  0.0430  0.9170  1
  P  P40  1  0.3730  0.6671  0.0837  1
  P  P41  1  0.6670  0.3749  0.5840  1
  P  P42  1  0.7072  0.0010  0.7491  1
  P  P43  1  0.7096  0.2921  0.2498  1
  P  P44  1  0.9577  0.3762  0.0832  1
  O  O45  1  0.0102  0.8189  0.9106  1
  O  O46  1  0.0214  0.7953  0.1949  1
  O  O47  1  0.0221  0.1810  0.6927  1
  O  O48  1  0.0303  0.1715  0.4100  1
  O  O49  1  0.1261  0.5060  0.8606  1
  O  O50  1  0.1280  0.3631  0.3646  1
  O  O51  1  0.1314  0.3666  0.0774  1
  O  O52  1  0.1419  0.4920  0.5784  1
  O  O53  1  0.1522  0.3018  0.4720  1
  O  O54  1  0.1533  0.5363  0.9756  1
  O  O55  1  0.1573  0.5317  0.2554  1
  O  O56  1  0.1638  0.8158  0.4100  1
  O  O57  1  0.1655  0.3223  0.7543  1
  O  O58  1  0.1722  0.0295  0.9100  1
  O  O59  1  0.1735  0.0233  0.1957  1
  O  O60  1  0.1782  0.7908  0.6975  1
  O  O61  1  0.1791  0.9913  0.5881  1
  O  O62  1  0.1928  0.8235  0.0900  1
  O  O63  1  0.2047  0.8177  0.8038  1
  O  O64  1  0.2071  0.9760  0.3089  1
  O  O65  1  0.2948  0.5417  0.4709  1
  O  O66  1  0.3009  0.1575  0.9699  1
  O  O67  1  0.3018  0.5336  0.7559  1
  O  O68  1  0.3235  0.1646  0.2543  1
  O  O69  1  0.3468  0.5118  0.0783  1
  O  O70  1  0.3558  0.1484  0.5778  1
  O  O71  1  0.3561  0.5085  0.3600  1
  O  O72  1  0.3658  0.1241  0.8636  1
  O  O73  1  0.4565  0.8475  0.5249  1
  O  O74  1  0.4593  0.6905  0.0303  1
  O  O75  1  0.4686  0.6896  0.7442  1
  O  O76  1  0.4849  0.6410  0.1367  1
  O  O77  1  0.4860  0.8342  0.2450  1
  O  O78  1  0.4951  0.8684  0.9240  1
  O  O79  1  0.4961  0.1471  0.0793  1
  O  O80  1  0.4979  0.8670  0.6374  1
  O  O81  1  0.4987  0.6529  0.4206  1
  O  O82  1  0.5063  0.1267  0.3602  1
  O  O83  1  0.5084  0.3579  0.8600  1
  O  O84  1  0.5124  0.3490  0.5783  1
  O  O85  1  0.5311  0.1575  0.7557  1
  O  O86  1  0.5352  0.3017  0.2555  1
  O  O87  1  0.5387  0.1526  0.4747  1
  O  O88  1  0.5402  0.2948  0.9708  1
  O  O89  1  0.6408  0.4856  0.6372  1
  O  O90  1  0.6459  0.8655  0.1408  1
  O  O91  1  0.6480  0.8510  0.4215  1
  O  O92  1  0.6562  0.4964  0.9226  1
  O  O93  1  0.6920  0.4672  0.2429  1
  O  O94  1  0.6969  0.8422  0.0266  1
  O  O95  1  0.6981  0.8356  0.7443  1
  O  O96  1  0.6991  0.4561  0.5308  1
  O  O97  1  0.7934  0.0216  0.6949  1
  O  O98  1  0.7938  0.1761  0.1969  1
  O  O99  1  0.8155  0.1641  0.9102  1
  O  O100  1  0.8183  0.2050  0.3034  1
  O  O101  1  0.8203  0.0106  0.4105  1
  O  O102  1  0.8204  0.9710  0.8033  1
  O  O103  1  0.8263  0.1961  0.5906  1
  O  O104  1  0.8340  0.4878  0.7459  1
  O  O105  1  0.8368  0.6956  0.2431  1
  O  O106  1  0.8431  0.6956  0.5259  1
  O  O107  1  0.8440  0.9656  0.0901  1
  O  O108  1  0.8512  0.4563  0.0278  1
  O  O109  1  0.8517  0.6455  0.9231  1
  O  O110  1  0.8681  0.4907  0.1353  1
  O  O111  1  0.8681  0.4950  0.4231  1
  O  O112  1  0.8718  0.6348  0.6403  1
  O  O113  1  0.9627  0.8445  0.5901  1
  O  O114  1  0.9693  0.8205  0.3031  1
  O  O115  1  0.9765  0.1990  0.0891  1
  O  O116  1  0.9779  0.2038  0.8077  1
]