data_[Na42Zn15Sn9P36O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.0396]
_cell_length_b [15.6470]
_cell_length_c [22.0169]
_cell_angle_alpha [89.9061]
_cell_angle_beta [89.8956]
_cell_angle_gamma [89.8802]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14Zn5Sn3(PO4)12]
_chemical_formula_sum '[Na42 Zn15 Sn9 P36 O144]'
_cell_volume [3114.0914]
_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  0.0050  0.6606  0.6619  1
  Na  Na1  1  0.0063  0.3405  0.8316  1
  Na  Na2  1  0.0141  0.3326  0.3318  1
  Na  Na3  1  0.1274  0.1672  0.4185  1
  Na  Na4  1  0.1688  0.5169  0.0770  1
  Na  Na5  1  0.1711  0.1862  0.7466  1
  Na  Na6  1  0.1857  0.4803  0.4186  1
  Na  Na7  1  0.1879  0.8530  0.4186  1
  Na  Na8  1  0.1884  0.1561  0.0778  1
  Na  Na9  1  0.1927  0.8198  0.7465  1
  Na  Na10  1  0.3079  0.9877  0.9135  1
  Na  Na11  1  0.3098  0.6564  0.5773  1
  Na  Na12  1  0.3127  0.3528  0.9184  1
  Na  Na13  1  0.3249  0.6869  0.2472  1
  Na  Na14  1  0.3299  0.0163  0.5778  1
  Na  Na15  1  0.3605  0.3264  0.5770  1
  Na  Na16  1  0.3644  0.6613  0.9137  1
  Na  Na17  1  0.3650  0.9925  0.2475  1
  Na  Na18  1  0.4935  0.1727  0.1623  1
  Na  Na19  1  0.4994  0.4990  0.9942  1
  Na  Na20  1  0.4995  0.4998  0.4939  1
  Na  Na21  1  0.5048  0.1605  0.6617  1
  Na  Na22  1  0.5137  0.8331  0.3322  1
  Na  Na23  1  0.5178  0.8420  0.8268  1
  Na  Na24  1  0.6276  0.6674  0.4187  1
  Na  Na25  1  0.6407  0.3267  0.0779  1
  Na  Na26  1  0.6720  0.6862  0.7459  1
  Na  Na27  1  0.6722  0.0196  0.0801  1
  Na  Na28  1  0.6860  0.9803  0.4184  1
  Na  Na29  1  0.6880  0.3528  0.4190  1
  Na  Na30  1  0.6920  0.6535  0.0808  1
  Na  Na31  1  0.6929  0.3192  0.7465  1
  Na  Na32  1  0.8100  0.1562  0.5774  1
  Na  Na33  1  0.8147  0.4800  0.9185  1
  Na  Na34  1  0.8259  0.1862  0.2467  1
  Na  Na35  1  0.8302  0.5163  0.5777  1
  Na  Na36  1  0.8609  0.8266  0.5774  1
  Na  Na37  1  0.8660  0.4928  0.2463  1
  Na  Na38  1  0.8762  0.1675  0.9189  1
  Na  Na39  1  0.9963  0.9870  0.9936  1
  Na  Na40  1  0.9996  0.9998  0.4939  1
  Na  Na41  1  0.9998  0.6798  0.1598  1
  Zn  Zn42  1  0.0008  0.3340  0.4875  1
  Zn  Zn43  1  0.0013  0.3333  0.9878  1
  Zn  Zn44  1  0.0026  0.6715  0.0154  1
  Zn  Zn45  1  0.0031  0.3373  0.6809  1
  Zn  Zn46  1  0.0075  0.3326  0.1809  1
  Zn  Zn47  1  0.4975  0.4986  0.8476  1
  Zn  Zn48  1  0.4977  0.4990  0.3480  1
  Zn  Zn49  1  0.4998  0.1668  0.0136  1
  Zn  Zn50  1  0.4998  0.1666  0.5131  1
  Zn  Zn51  1  0.5008  0.8342  0.4874  1
  Zn  Zn52  1  0.5030  0.8373  0.6802  1
  Zn  Zn53  1  0.5062  0.8329  0.1830  1
  Zn  Zn54  1  0.9933  0.9963  0.8498  1
  Zn  Zn55  1  0.9978  0.9987  0.3476  1
  Zn  Zn56  1  0.9998  0.6667  0.5131  1
  Sn  Sn57  1  0.0006  0.6672  0.8176  1
  Sn  Sn58  1  0.0006  0.9959  0.1507  1
  Sn  Sn59  1  0.4972  0.5000  0.6526  1
  Sn  Sn60  1  0.4972  0.1686  0.3160  1
  Sn  Sn61  1  0.4985  0.4990  0.1522  1
  Sn  Sn62  1  0.5018  0.1634  0.8164  1
  Sn  Sn63  1  0.5024  0.8334  0.9839  1
  Sn  Sn64  1  0.9968  0.9995  0.6526  1
  Sn  Sn65  1  0.9972  0.6688  0.3162  1
  P  P66  1  0.1459  0.1833  0.5853  1
  P  P67  1  0.1462  0.5183  0.9194  1
  P  P68  1  0.1471  0.8505  0.2529  1
  P  P69  1  0.1495  0.1477  0.2516  1
  P  P70  1  0.1504  0.8149  0.9183  1
  P  P71  1  0.1505  0.4816  0.5834  1
  P  P72  1  0.2007  0.5007  0.2529  1
  P  P73  1  0.2023  0.8347  0.5854  1
  P  P74  1  0.2024  0.1672  0.9175  1
  P  P75  1  0.2974  0.6670  0.4174  1
  P  P76  1  0.2976  0.0007  0.7525  1
  P  P77  1  0.2976  0.3347  0.0833  1
  P  P78  1  0.3483  0.6490  0.7524  1
  P  P79  1  0.3484  0.9808  0.0854  1
  P  P80  1  0.3509  0.3152  0.4191  1
  P  P81  1  0.3511  0.3496  0.7533  1
  P  P82  1  0.3516  0.0179  0.4175  1
  P  P83  1  0.3519  0.6846  0.0868  1
  P  P84  1  0.6460  0.6833  0.5852  1
  P  P85  1  0.6474  0.3502  0.2521  1
  P  P86  1  0.6476  0.0172  0.9200  1
  P  P87  1  0.6493  0.3148  0.9174  1
  P  P88  1  0.6499  0.6486  0.2524  1
  P  P89  1  0.6505  0.9817  0.5833  1
  P  P90  1  0.7016  0.0004  0.2527  1
  P  P91  1  0.7022  0.3347  0.5854  1
  P  P92  1  0.7033  0.6678  0.9187  1
  P  P93  1  0.7949  0.8339  0.0852  1
  P  P94  1  0.7973  0.1671  0.4173  1
  P  P95  1  0.7982  0.5013  0.7528  1
  P  P96  1  0.8485  0.4812  0.0852  1
  P  P97  1  0.8496  0.1481  0.7527  1
  P  P98  1  0.8507  0.8153  0.4192  1
  P  P99  1  0.8515  0.8507  0.7521  1
  P  P100  1  0.8518  0.5179  0.4174  1
  P  P101  1  0.8540  0.1832  0.0854  1
  O  O102  1  0.0697  0.5624  0.8627  1
  O  O103  1  0.0711  0.0909  0.5896  1
  O  O104  1  0.0731  0.4292  0.9206  1
  O  O105  1  0.0739  0.2214  0.5279  1
  O  O106  1  0.0745  0.8913  0.1952  1
  O  O107  1  0.0776  0.7581  0.2541  1
  O  O108  1  0.0784  0.2355  0.2441  1
  O  O109  1  0.0789  0.4394  0.6380  1
  O  O110  1  0.0846  0.1053  0.3078  1
  O  O111  1  0.0863  0.7700  0.9721  1
  O  O112  1  0.0874  0.5734  0.5788  1
  O  O113  1  0.0931  0.9066  0.9122  1
  O  O114  1  0.0949  0.4256  0.2460  1
  O  O115  1  0.0982  0.7567  0.5807  1
  O  O116  1  0.1019  0.9188  0.5898  1
  O  O117  1  0.1037  0.0873  0.9119  1
  O  O118  1  0.1051  0.5865  0.2536  1
  O  O119  1  0.1078  0.2494  0.9195  1
  O  O120  1  0.1170  0.2360  0.6427  1
  O  O121  1  0.1190  0.9032  0.3097  1
  O  O122  1  0.1201  0.5727  0.9761  1
  O  O123  1  0.1276  0.0889  0.1935  1
  O  O124  1  0.1327  0.7604  0.8578  1
  O  O125  1  0.1353  0.4287  0.5246  1
  O  O126  1  0.1749  0.9922  0.0874  1
  O  O127  1  0.1752  0.6598  0.7544  1
  O  O128  1  0.1806  0.3233  0.4211  1
  O  O129  1  0.1821  0.0096  0.4120  1
  O  O130  1  0.1855  0.3342  0.7463  1
  O  O131  1  0.1863  0.6678  0.0800  1
  O  O132  1  0.1984  0.6812  0.3586  1
  O  O133  1  0.1987  0.3203  0.1378  1
  O  O134  1  0.1989  0.0183  0.6941  1
  O  O135  1  0.1994  0.6539  0.4735  1
  O  O136  1  0.2009  0.9907  0.8087  1
  O  O137  1  0.2110  0.3529  0.0242  1
  O  O138  1  0.2948  0.4921  0.3092  1
  O  O139  1  0.2950  0.8518  0.5277  1
  O  O140  1  0.2959  0.8221  0.6425  1
  O  O141  1  0.2981  0.5187  0.1940  1
  O  O142  1  0.3012  0.1529  0.9732  1
  O  O143  1  0.3020  0.1812  0.8586  1
  O  O144  1  0.3152  0.1698  0.5804  1
  O  O145  1  0.3158  0.8398  0.2461  1
  O  O146  1  0.3159  0.5097  0.9118  1
  O  O147  1  0.3243  0.1516  0.2535  1
  O  O148  1  0.3264  0.4898  0.5899  1
  O  O149  1  0.3274  0.8202  0.9213  1
  O  O150  1  0.3744  0.5950  0.6930  1
  O  O151  1  0.3756  0.9273  0.0258  1
  O  O152  1  0.3766  0.2552  0.3624  1
  O  O153  1  0.3802  0.0738  0.4733  1
  O  O154  1  0.3850  0.4007  0.8098  1
  O  O155  1  0.3858  0.7356  0.1432  1
  O  O156  1  0.3908  0.0860  0.7538  1
  O  O157  1  0.3935  0.7484  0.4194  1
  O  O158  1  0.3935  0.9212  0.7451  1
  O  O159  1  0.3952  0.5863  0.4122  1
  O  O160  1  0.3972  0.4190  0.0894  1
  O  O161  1  0.4043  0.2572  0.0790  1
  O  O162  1  0.4142  0.9385  0.1412  1
  O  O163  1  0.4146  0.6058  0.8080  1
  O  O164  1  0.4160  0.0713  0.0798  1
  O  O165  1  0.4174  0.7384  0.7467  1
  O  O166  1  0.4195  0.2750  0.4761  1
  O  O167  1  0.4234  0.0598  0.3584  1
  O  O168  1  0.4238  0.4038  0.4120  1
  O  O169  1  0.4262  0.9291  0.4196  1
  O  O170  1  0.4269  0.3898  0.6948  1
  O  O171  1  0.4278  0.7239  0.0280  1
  O  O172  1  0.4322  0.2589  0.7538  1
  O  O173  1  0.4334  0.5935  0.0881  1
  O  O174  1  0.5658  0.0577  0.8636  1
  O  O175  1  0.5666  0.9280  0.9219  1
  O  O176  1  0.5711  0.5909  0.5895  1
  O  O177  1  0.5740  0.7214  0.5278  1
  O  O178  1  0.5765  0.2582  0.2536  1
  O  O179  1  0.5770  0.4042  0.9119  1
  O  O180  1  0.5782  0.7362  0.2454  1
  O  O181  1  0.5790  0.9396  0.6379  1
  O  O182  1  0.5793  0.3900  0.1925  1
  O  O183  1  0.5803  0.2726  0.9735  1
  O  O184  1  0.5843  0.6054  0.3082  1
  O  O185  1  0.5873  0.0735  0.5788  1
  O  O186  1  0.5942  0.9259  0.2463  1
  O  O187  1  0.5980  0.2568  0.5807  1
  O  O188  1  0.5989  0.7488  0.9212  1
  O  O189  1  0.6013  0.4187  0.5900  1
  O  O190  1  0.6029  0.5884  0.9132  1
  O  O191  1  0.6057  0.0866  0.2531  1
  O  O192  1  0.6160  0.4046  0.3075  1
  O  O193  1  0.6168  0.7359  0.6426  1
  O  O194  1  0.6183  0.0692  0.9775  1
  O  O195  1  0.6214  0.2574  0.8590  1
  O  O196  1  0.6278  0.5903  0.1939  1
  O  O197  1  0.6352  0.9287  0.5246  1
  O  O198  1  0.6722  0.4902  0.0893  1
  O  O199  1  0.6759  0.1586  0.7546  1
  O  O200  1  0.6804  0.8233  0.4212  1
  O  O201  1  0.6822  0.5094  0.4118  1
  O  O202  1  0.6845  0.1704  0.0803  1
  O  O203  1  0.6863  0.8339  0.7456  1
  O  O204  1  0.6967  0.8196  0.1397  1
  O  O205  1  0.6979  0.8554  0.0272  1
  O  O206  1  0.6982  0.1814  0.3586  1
  O  O207  1  0.6991  0.5192  0.6944  1
  O  O208  1  0.6993  0.1540  0.4734  1
  O  O209  1  0.7010  0.4898  0.8088  1
  O  O210  1  0.7941  0.9921  0.3095  1
  O  O211  1  0.7947  0.3520  0.5277  1
  O  O212  1  0.7959  0.3222  0.6426  1
  O  O213  1  0.7959  0.6823  0.8589  1
  O  O214  1  0.7996  0.6559  0.9745  1
  O  O215  1  0.7997  0.0173  0.1942  1
  O  O216  1  0.8146  0.0103  0.9120  1
  O  O217  1  0.8153  0.6698  0.5805  1
  O  O218  1  0.8161  0.3391  0.2463  1
  O  O219  1  0.8194  0.3225  0.9194  1
  O  O220  1  0.8241  0.6523  0.2540  1
  O  O221  1  0.8263  0.9901  0.5897  1
  O  O222  1  0.8685  0.4262  0.0276  1
  O  O223  1  0.8746  0.0947  0.6929  1
  O  O224  1  0.8762  0.7552  0.3625  1
  O  O225  1  0.8800  0.5738  0.4733  1
  O  O226  1  0.8809  0.2366  0.1424  1
  O  O227  1  0.8874  0.9053  0.8060  1
  O  O228  1  0.8883  0.9191  0.0889  1
  O  O229  1  0.8897  0.5870  0.7550  1
  O  O230  1  0.8927  0.7552  0.0768  1
  O  O231  1  0.8934  0.2485  0.4194  1
  O  O232  1  0.8937  0.4217  0.7451  1
  O  O233  1  0.8951  0.0864  0.4120  1
  O  O234  1  0.9123  0.4397  0.1423  1
  O  O235  1  0.9131  0.5723  0.0804  1
  O  O236  1  0.9162  0.1050  0.8080  1
  O  O237  1  0.9166  0.2381  0.7467  1
  O  O238  1  0.9194  0.7750  0.4761  1
  O  O239  1  0.9234  0.9039  0.4121  1
  O  O240  1  0.9235  0.5600  0.3585  1
  O  O241  1  0.9258  0.8871  0.6919  1
  O  O242  1  0.9264  0.4291  0.4195  1
  O  O243  1  0.9264  0.2210  0.0278  1
  O  O244  1  0.9288  0.0907  0.0900  1
  O  O245  1  0.9326  0.7597  0.7545  1
]