data_[Na30Ca9Ge15P36O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8712]
_cell_length_b [15.3016]
_cell_length_c [21.8451]
_cell_angle_alpha [90.0008]
_cell_angle_beta [90.0576]
_cell_angle_gamma [90.1779]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Ca3Ge5(PO4)12]
_chemical_formula_sum '[Na30 Ca9 Ge15 P36 O144]'
_cell_volume [2965.3087]
_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  0.0017  0.9997  0.5075  1
  Na  Na1  1  0.0164  0.6658  0.1662  1
  Na  Na2  1  0.1414  0.1739  0.9213  1
  Na  Na3  1  0.1676  0.4836  0.9194  1
  Na  Na4  1  0.1891  0.8411  0.9213  1
  Na  Na5  1  0.1968  0.1833  0.2489  1
  Na  Na6  1  0.3054  0.6756  0.7485  1
  Na  Na7  1  0.3082  0.3404  0.4208  1
  Na  Na8  1  0.3324  0.9858  0.4194  1
  Na  Na9  1  0.3335  0.3125  0.7499  1
  Na  Na10  1  0.3589  0.6773  0.4211  1
  Na  Na11  1  0.4788  0.5006  0.5067  1
  Na  Na12  1  0.4896  0.8410  0.3309  1
  Na  Na13  1  0.5004  0.4996  0.0060  1
  Na  Na14  1  0.5048  0.1509  0.6692  1
  Na  Na15  1  0.5105  0.8421  0.8335  1
  Na  Na16  1  0.5159  0.1662  0.1657  1
  Na  Na17  1  0.6431  0.6758  0.9203  1
  Na  Na18  1  0.6500  0.3344  0.5896  1
  Na  Na19  1  0.6643  0.9861  0.9212  1
  Na  Na20  1  0.6722  0.6551  0.5898  1
  Na  Na21  1  0.6892  0.3399  0.9203  1
  Na  Na22  1  0.6966  0.6832  0.2490  1
  Na  Na23  1  0.8110  0.8411  0.4204  1
  Na  Na24  1  0.8351  0.4862  0.4203  1
  Na  Na25  1  0.8550  0.1738  0.4189  1
  Na  Na26  1  0.9845  0.3327  0.8349  1
  Na  Na27  1  0.9907  0.3416  0.3302  1
  Na  Na28  1  0.9936  0.6663  0.6712  1
  Na  Na29  1  0.9998  0.0002  0.0065  1
  Ca  Ca30  1  0.0001  0.3336  0.9984  1
  Ca  Ca31  1  0.0094  0.6662  0.3044  1
  Ca  Ca32  1  0.4949  0.5003  0.6475  1
  Ca  Ca33  1  0.4980  0.8335  0.0006  1
  Ca  Ca34  1  0.5032  0.1567  0.8076  1
  Ca  Ca35  1  0.5061  0.8442  0.4950  1
  Ca  Ca36  1  0.5097  0.1666  0.3026  1
  Ca  Ca37  1  0.9939  0.6728  0.8119  1
  Ca  Ca38  1  0.9968  0.3249  0.4910  1
  Ge  Ge39  1  0.0033  0.9987  0.6494  1
  Ge  Ge40  1  0.0101  0.6699  0.5216  1
  Ge  Ge41  1  0.4949  0.1599  0.5225  1
  Ge  Ge42  1  0.4960  0.8364  0.1815  1
  Ge  Ge43  1  0.4987  0.4988  0.3500  1
  Ge  Ge44  1  0.4988  0.4988  0.1471  1
  Ge  Ge45  1  0.4992  0.8382  0.6848  1
  Ge  Ge46  1  0.5004  0.1658  0.0229  1
  Ge  Ge47  1  0.5031  0.4995  0.8496  1
  Ge  Ge48  1  0.9962  0.3364  0.1812  1
  Ge  Ge49  1  0.9972  0.6671  0.0233  1
  Ge  Ge50  1  0.9987  0.0000  0.8507  1
  Ge  Ge51  1  0.9988  0.9987  0.1472  1
  Ge  Ge52  1  0.9990  0.3328  0.6844  1
  Ge  Ge53  1  0.9999  0.9980  0.3497  1
  P  P54  1  0.1250  0.1466  0.7462  1
  P  P55  1  0.1384  0.8179  0.4164  1
  P  P56  1  0.1553  0.4893  0.0836  1
  P  P57  1  0.1567  0.5230  0.4164  1
  P  P58  1  0.1578  0.1772  0.0851  1
  P  P59  1  0.1623  0.8652  0.7469  1
  P  P60  1  0.1882  0.8329  0.0844  1
  P  P61  1  0.1984  0.4892  0.7514  1
  P  P62  1  0.2065  0.1579  0.4115  1
  P  P63  1  0.2800  0.9869  0.2461  1
  P  P64  1  0.2975  0.6610  0.9158  1
  P  P65  1  0.3029  0.3203  0.5807  1
  P  P66  1  0.3364  0.6914  0.5809  1
  P  P67  1  0.3376  0.3653  0.2458  1
  P  P68  1  0.3416  0.0204  0.9194  1
  P  P69  1  0.3422  0.9868  0.5842  1
  P  P70  1  0.3631  0.3154  0.9146  1
  P  P71  1  0.3743  0.6466  0.2447  1
  P  P72  1  0.6320  0.6586  0.7464  1
  P  P73  1  0.6345  0.3174  0.4176  1
  P  P74  1  0.6550  0.9894  0.0843  1
  P  P75  1  0.6567  0.0240  0.4159  1
  P  P76  1  0.6572  0.6771  0.0852  1
  P  P77  1  0.6674  0.3566  0.7475  1
  P  P78  1  0.6890  0.3331  0.0840  1
  P  P79  1  0.7058  0.6610  0.4149  1
  P  P80  1  0.7209  0.9882  0.7455  1
  P  P81  1  0.7796  0.4872  0.2464  1
  P  P82  1  0.7934  0.1608  0.9186  1
  P  P83  1  0.8103  0.8347  0.5841  1
  P  P84  1  0.8376  0.8651  0.2460  1
  P  P85  1  0.8437  0.1752  0.5841  1
  P  P86  1  0.8444  0.5229  0.9185  1
  P  P87  1  0.8588  0.8198  0.9206  1
  P  P88  1  0.8695  0.4886  0.5808  1
  P  P89  1  0.8751  0.1465  0.2446  1
  O  O90  1  0.0431  0.2369  0.7410  1
  O  O91  1  0.0460  0.9069  0.4112  1
  O  O92  1  0.0590  0.7737  0.4744  1
  O  O93  1  0.0649  0.1054  0.8086  1
  O  O94  1  0.0682  0.4349  0.1345  1
  O  O95  1  0.0752  0.5805  0.0816  1
  O  O96  1  0.0785  0.5582  0.3606  1
  O  O97  1  0.0786  0.9098  0.0977  1
  O  O98  1  0.0849  0.0892  0.6922  1
  O  O99  1  0.0927  0.5655  0.7570  1
  O  O100  1  0.0940  0.2047  0.0242  1
  O  O101  1  0.0945  0.7459  0.0825  1
  O  O102  1  0.0953  0.2333  0.4185  1
  O  O103  1  0.0956  0.9122  0.6924  1
  O  O104  1  0.0966  0.0828  0.0966  1
  O  O105  1  0.1029  0.4292  0.4254  1
  O  O106  1  0.1069  0.7710  0.7457  1
  O  O107  1  0.1142  0.0683  0.4097  1
  O  O108  1  0.1148  0.3974  0.7471  1
  O  O109  1  0.1198  0.7615  0.3606  1
  O  O110  1  0.1202  0.2440  0.1388  1
  O  O111  1  0.1246  0.9147  0.8092  1
  O  O112  1  0.1343  0.5866  0.4739  1
  O  O113  1  0.1488  0.4457  0.0219  1
  O  O114  1  0.1592  0.6902  0.5815  1
  O  O115  1  0.1595  0.3598  0.2417  1
  O  O116  1  0.1624  0.0209  0.9129  1
  O  O117  1  0.1704  0.9953  0.1935  1
  O  O118  1  0.1736  0.0052  0.5975  1
  O  O119  1  0.1816  0.6457  0.9703  1
  O  O120  1  0.1898  0.9752  0.3088  1
  O  O121  1  0.1934  0.3142  0.6383  1
  O  O122  1  0.1951  0.3317  0.9254  1
  O  O123  1  0.2061  0.6576  0.2430  1
  O  O124  1  0.2203  0.6785  0.8551  1
  O  O125  1  0.2254  0.3271  0.5197  1
  O  O126  1  0.2557  0.8521  0.0227  1
  O  O127  1  0.2924  0.1722  0.3529  1
  O  O128  1  0.2929  0.5019  0.6956  1
  O  O129  1  0.2944  0.1629  0.7455  1
  O  O130  1  0.3047  0.4747  0.8111  1
  O  O131  1  0.3060  0.8377  0.4235  1
  O  O132  1  0.3142  0.8175  0.1349  1
  O  O133  1  0.3154  0.1430  0.4686  1
  O  O134  1  0.3258  0.5046  0.0969  1
  O  O135  1  0.3349  0.1733  0.0828  1
  O  O136  1  0.3362  0.5233  0.4098  1
  O  O137  1  0.3393  0.8658  0.7432  1
  O  O138  1  0.3441  0.9457  0.5215  1
  O  O139  1  0.3700  0.4151  0.3085  1
  O  O140  1  0.3703  0.0836  0.9762  1
  O  O141  1  0.3769  0.0688  0.2454  1
  O  O142  1  0.3771  0.9017  0.2408  1
  O  O143  1  0.3787  0.2654  0.8551  1
  O  O144  1  0.3799  0.7503  0.6386  1
  O  O145  1  0.3894  0.5713  0.9123  1
  O  O146  1  0.3914  0.7276  0.5207  1
  O  O147  1  0.3966  0.2321  0.5819  1
  O  O148  1  0.3985  0.9276  0.9290  1
  O  O149  1  0.3990  0.2726  0.2450  1
  O  O150  1  0.4003  0.5996  0.5851  1
  O  O151  1  0.4032  0.4145  0.1923  1
  O  O152  1  0.4059  0.7369  0.9274  1
  O  O153  1  0.4158  0.0533  0.8620  1
  O  O154  1  0.4170  0.3946  0.5851  1
  O  O155  1  0.4243  0.5914  0.1912  1
  O  O156  1  0.4298  0.9338  0.6346  1
  O  O157  1  0.4320  0.0749  0.5812  1
  O  O158  1  0.4427  0.6061  0.3066  1
  O  O159  1  0.4433  0.2676  0.9707  1
  O  O160  1  0.4522  0.4063  0.9113  1
  O  O161  1  0.4572  0.7386  0.2419  1
  O  O162  1  0.5351  0.7468  0.7471  1
  O  O163  1  0.5449  0.4074  0.4120  1
  O  O164  1  0.5580  0.6073  0.8042  1
  O  O165  1  0.5677  0.2751  0.4787  1
  O  O166  1  0.5684  0.9344  0.1350  1
  O  O167  1  0.5739  0.0802  0.0828  1
  O  O168  1  0.5795  0.4101  0.0973  1
  O  O169  1  0.5815  0.0624  0.3608  1
  O  O170  1  0.5930  0.2469  0.0818  1
  O  O171  1  0.5945  0.7043  0.0241  1
  O  O172  1  0.5955  0.2673  0.7544  1
  O  O173  1  0.5961  0.5827  0.0967  1
  O  O174  1  0.5978  0.7376  0.4240  1
  O  O175  1  0.5981  0.6145  0.6866  1
  O  O176  1  0.6007  0.9302  0.4218  1
  O  O177  1  0.6088  0.2600  0.3630  1
  O  O178  1  0.6128  0.5715  0.4114  1
  O  O179  1  0.6130  0.3938  0.6878  1
  O  O180  1  0.6178  0.0661  0.7429  1
  O  O181  1  0.6195  0.7441  0.1388  1
  O  O182  1  0.6268  0.0822  0.4756  1
  O  O183  1  0.6271  0.9013  0.7407  1
  O  O184  1  0.6301  0.4168  0.8063  1
  O  O185  1  0.6477  0.9463  0.0226  1
  O  O186  1  0.6596  0.8597  0.2420  1
  O  O187  1  0.6648  0.5221  0.9112  1
  O  O188  1  0.6656  0.1749  0.5828  1
  O  O189  1  0.6705  0.4955  0.1936  1
  O  O190  1  0.6807  0.8166  0.6326  1
  O  O191  1  0.6890  0.1429  0.9768  1
  O  O192  1  0.6891  0.4756  0.3092  1
  O  O193  1  0.6916  0.8377  0.9299  1
  O  O194  1  0.7004  0.1804  0.8629  1
  O  O195  1  0.7005  0.5046  0.5880  1
  O  O196  1  0.7070  0.1579  0.2425  1
  O  O197  1  0.7461  0.8550  0.5216  1
  O  O198  1  0.7579  0.3520  0.0225  1
  O  O199  1  0.7931  0.6758  0.3565  1
  O  O200  1  0.7970  0.6779  0.7517  1
  O  O201  1  0.8036  0.3365  0.4218  1
  O  O202  1  0.8102  0.9792  0.8087  1
  O  O203  1  0.8117  0.6466  0.4735  1
  O  O204  1  0.8139  0.3173  0.1350  1
  O  O205  1  0.8258  0.0046  0.0972  1
  O  O206  1  0.8294  0.9934  0.6924  1
  O  O207  1  0.8343  0.6730  0.0836  1
  O  O208  1  0.8355  0.0240  0.4107  1
  O  O209  1  0.8446  0.3523  0.7456  1
  O  O210  1  0.8693  0.5847  0.9767  1
  O  O211  1  0.8698  0.9152  0.3087  1
  O  O212  1  0.8717  0.7664  0.8631  1
  O  O213  1  0.8762  0.5694  0.2461  1
  O  O214  1  0.8770  0.4020  0.2409  1
  O  O215  1  0.8784  0.2511  0.6321  1
  O  O216  1  0.8847  0.0716  0.9117  1
  O  O217  1  0.8885  0.4433  0.5200  1
  O  O218  1  0.8925  0.7434  0.5817  1
  O  O219  1  0.8990  0.7724  0.2456  1
  O  O220  1  0.9003  0.4295  0.9273  1
  O  O221  1  0.9020  0.1983  0.5210  1
  O  O222  1  0.9033  0.9143  0.1926  1
  O  O223  1  0.9050  0.2361  0.9271  1
  O  O224  1  0.9056  0.0834  0.5984  1
  O  O225  1  0.9202  0.5596  0.8627  1
  O  O226  1  0.9236  0.9094  0.5977  1
  O  O227  1  0.9250  0.0913  0.1912  1
  O  O228  1  0.9396  0.7736  0.9771  1
  O  O229  1  0.9402  0.4341  0.6357  1
  O  O230  1  0.9424  0.1057  0.3065  1
  O  O231  1  0.9497  0.9093  0.9138  1
  O  O232  1  0.9501  0.5806  0.5803  1
  O  O233  1  0.9577  0.2385  0.2419  1
]