data_[Na30Ca9Zr15P36O144]
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
  Zr  1.3300  1.5500  0.8600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1968]
_cell_length_b [15.8938]
_cell_length_c [23.1126]
_cell_angle_alpha [89.9604]
_cell_angle_beta [89.9795]
_cell_angle_gamma [89.8946]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Ca3Zr5(PO4)12]
_chemical_formula_sum '[Na30 Ca9 Zr15 P36 O144]'
_cell_volume [3378.3959]
_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  0.0058  0.6655  0.3255  1
  Na  Na1  1  0.0067  0.3396  0.6678  1
  Na  Na2  1  0.0141  0.3344  0.1667  1
  Na  Na3  1  0.1398  0.1730  0.5784  1
  Na  Na4  1  0.1710  0.4833  0.5781  1
  Na  Na5  1  0.1910  0.8437  0.5780  1
  Na  Na6  1  0.3076  0.6829  0.7494  1
  Na  Na7  1  0.3100  0.3430  0.0782  1
  Na  Na8  1  0.3269  0.6489  0.4096  1
  Na  Na9  1  0.3302  0.9835  0.0777  1
  Na  Na10  1  0.3609  0.6740  0.0784  1
  Na  Na11  1  0.3622  0.3381  0.4109  1
  Na  Na12  1  0.4849  0.1667  0.8314  1
  Na  Na13  1  0.4911  0.8381  0.1666  1
  Na  Na14  1  0.4969  0.1544  0.3271  1
  Na  Na15  1  0.4996  0.5001  0.9959  1
  Na  Na16  1  0.5068  0.8395  0.6677  1
  Na  Na17  1  0.5172  0.5003  0.4896  1
  Na  Na18  1  0.6370  0.6744  0.5784  1
  Na  Na19  1  0.6712  0.3140  0.2485  1
  Na  Na20  1  0.6716  0.9837  0.5786  1
  Na  Na21  1  0.6910  0.3439  0.5771  1
  Na  Na22  1  0.6913  0.6781  0.2490  1
  Na  Na23  1  0.8071  0.1831  0.7492  1
  Na  Na24  1  0.8091  0.8441  0.0778  1
  Na  Na25  1  0.8291  0.4827  0.0792  1
  Na  Na26  1  0.8618  0.1735  0.0780  1
  Na  Na27  1  0.9846  0.6666  0.8314  1
  Na  Na28  1  0.9989  0.9998  0.4936  1
  Na  Na29  1  0.9998  0.0001  0.9956  1
  Ca  Ca30  1  0.0000  0.3335  0.0089  1
  Ca  Ca31  1  0.0083  0.6686  0.1859  1
  Ca  Ca32  1  0.4913  0.1665  0.6897  1
  Ca  Ca33  1  0.4952  0.1608  0.1876  1
  Ca  Ca34  1  0.4987  0.8383  0.5106  1
  Ca  Ca35  1  0.5010  0.8334  0.0085  1
  Ca  Ca36  1  0.5057  0.5000  0.3499  1
  Ca  Ca37  1  0.9914  0.6663  0.6894  1
  Ca  Ca38  1  0.9986  0.3305  0.5113  1
  Zr  Zr39  1  0.0001  0.0002  0.1515  1
  Zr  Zr40  1  0.0016  0.9987  0.8534  1
  Zr  Zr41  1  0.0018  0.6669  0.9785  1
  Zr  Zr42  1  0.0018  0.9982  0.6516  1
  Zr  Zr43  1  0.0028  0.3352  0.3166  1
  Zr  Zr44  1  0.0034  0.3365  0.8185  1
  Zr  Zr45  1  0.4963  0.4999  0.1526  1
  Zr  Zr46  1  0.4982  0.8366  0.3161  1
  Zr  Zr47  1  0.5009  0.1663  0.9786  1
  Zr  Zr48  1  0.5012  0.4984  0.6510  1
  Zr  Zr49  1  0.5016  0.4987  0.8534  1
  Zr  Zr50  1  0.5035  0.8364  0.8184  1
  Zr  Zr51  1  0.5044  0.1633  0.4790  1
  Zr  Zr52  1  0.9914  0.6677  0.4795  1
  Zr  Zr53  1  0.9987  0.9997  0.3514  1
  P  P54  1  0.1382  0.1485  0.7520  1
  P  P55  1  0.1450  0.8170  0.0822  1
  P  P56  1  0.1461  0.4850  0.4195  1
  P  P57  1  0.1512  0.5199  0.0828  1
  P  P58  1  0.1527  0.1821  0.4178  1
  P  P59  1  0.1556  0.8550  0.7517  1
  P  P60  1  0.1975  0.8327  0.4180  1
  P  P61  1  0.2045  0.1643  0.0829  1
  P  P62  1  0.2098  0.4955  0.7513  1
  P  P63  1  0.2907  0.9958  0.2518  1
  P  P64  1  0.2952  0.6643  0.5847  1
  P  P65  1  0.3030  0.3322  0.9180  1
  P  P66  1  0.3447  0.3515  0.2525  1
  P  P67  1  0.3471  0.6825  0.9161  1
  P  P68  1  0.3486  0.0205  0.5842  1
  P  P69  1  0.3504  0.9855  0.9182  1
  P  P70  1  0.3567  0.3155  0.5820  1
  P  P71  1  0.3570  0.6536  0.2532  1
  P  P72  1  0.6383  0.6484  0.7519  1
  P  P73  1  0.6440  0.3152  0.0857  1
  P  P74  1  0.6512  0.6862  0.4182  1
  P  P75  1  0.6519  0.9842  0.4177  1
  P  P76  1  0.6522  0.0193  0.0828  1
  P  P77  1  0.6554  0.3552  0.7516  1
  P  P78  1  0.6984  0.3297  0.4183  1
  P  P79  1  0.7036  0.6644  0.0854  1
  P  P80  1  0.7097  0.9955  0.7513  1
  P  P81  1  0.7955  0.1634  0.5870  1
  P  P82  1  0.7996  0.4963  0.2490  1
  P  P83  1  0.8031  0.8321  0.9180  1
  P  P84  1  0.8455  0.8554  0.2514  1
  P  P85  1  0.8468  0.1825  0.9161  1
  P  P86  1  0.8490  0.5199  0.5841  1
  P  P87  1  0.8502  0.4856  0.9183  1
  P  P88  1  0.8550  0.8163  0.5840  1
  P  P89  1  0.8590  0.1494  0.2517  1
  O  O90  1  0.0551  0.2347  0.7559  1
  O  O91  1  0.0641  0.9052  0.0871  1
  O  O92  1  0.0737  0.5743  0.4212  1
  O  O93  1  0.0749  0.7714  0.0285  1
  O  O94  1  0.0760  0.1050  0.6950  1
  O  O95  1  0.0794  0.4345  0.3674  1
  O  O96  1  0.0818  0.5578  0.1361  1
  O  O97  1  0.0907  0.0922  0.8028  1
  O  O98  1  0.0924  0.0931  0.4053  1
  O  O99  1  0.0925  0.9055  0.8025  1
  O  O100  1  0.0930  0.9070  0.4059  1
  O  O101  1  0.0938  0.7663  0.7511  1
  O  O102  1  0.0939  0.4293  0.0762  1
  O  O103  1  0.0944  0.2107  0.4764  1
  O  O104  1  0.0980  0.2387  0.0759  1
  O  O105  1  0.1119  0.0800  0.0881  1
  O  O106  1  0.1122  0.7473  0.4207  1
  O  O107  1  0.1126  0.4160  0.7565  1
  O  O108  1  0.1141  0.2470  0.3690  1
  O  O109  1  0.1196  0.9055  0.6943  1
  O  O110  1  0.1196  0.5777  0.0287  1
  O  O111  1  0.1227  0.7642  0.1358  1
  O  O112  1  0.1229  0.4369  0.4761  1
  O  O113  1  0.1233  0.5773  0.7502  1
  O  O114  1  0.1752  0.3450  0.2548  1
  O  O115  1  0.1764  0.0168  0.5885  1
  O  O116  1  0.1781  0.6766  0.9196  1
  O  O117  1  0.1824  0.9997  0.3026  1
  O  O118  1  0.1857  0.9981  0.9059  1
  O  O119  1  0.1898  0.3222  0.8677  1
  O  O120  1  0.1915  0.3319  0.5775  1
  O  O121  1  0.1925  0.6527  0.5305  1
  O  O122  1  0.1955  0.6683  0.2472  1
  O  O123  1  0.1970  0.9882  0.1946  1
  O  O124  1  0.2070  0.6776  0.6398  1
  O  O125  1  0.2282  0.3480  0.9758  1
  O  O126  1  0.2704  0.8483  0.4763  1
  O  O127  1  0.2956  0.1801  0.1361  1
  O  O128  1  0.3007  0.1590  0.7519  1
  O  O129  1  0.3032  0.4860  0.6939  1
  O  O130  1  0.3072  0.1509  0.0290  1
  O  O131  1  0.3097  0.8324  0.0757  1
  O  O132  1  0.3108  0.4972  0.4129  1
  O  O133  1  0.3124  0.8197  0.3687  1
  O  O134  1  0.3183  0.5012  0.8018  1
  O  O135  1  0.3232  0.1808  0.4201  1
  O  O136  1  0.3237  0.5165  0.0881  1
  O  O137  1  0.3252  0.8481  0.7560  1
  O  O138  1  0.3644  0.9404  0.9760  1
  O  O139  1  0.3813  0.0770  0.5296  1
  O  O140  1  0.3824  0.4093  0.1977  1
  O  O141  1  0.3829  0.2602  0.6342  1
  O  O142  1  0.3831  0.9138  0.2568  1
  O  O143  1  0.3858  0.7420  0.8639  1
  O  O144  1  0.3859  0.0731  0.2524  1
  O  O145  1  0.3890  0.5804  0.5884  1
  O  O146  1  0.3896  0.6063  0.3090  1
  O  O147  1  0.3965  0.2506  0.9201  1
  O  O148  1  0.3997  0.7395  0.5779  1
  O  O149  1  0.4037  0.3914  0.3076  1
  O  O150  1  0.4046  0.4082  0.9059  1
  O  O151  1  0.4068  0.9299  0.5783  1
  O  O152  1  0.4091  0.7138  0.9732  1
  O  O153  1  0.4099  0.5928  0.9054  1
  O  O154  1  0.4180  0.0588  0.6372  1
  O  O155  1  0.4199  0.2665  0.2456  1
  O  O156  1  0.4222  0.9335  0.8680  1
  O  O157  1  0.4226  0.2731  0.5259  1
  O  O158  1  0.4258  0.6037  0.1990  1
  O  O159  1  0.4259  0.0729  0.9198  1
  O  O160  1  0.4371  0.4036  0.5876  1
  O  O161  1  0.4466  0.7387  0.2534  1
  O  O162  1  0.5551  0.7346  0.7558  1
  O  O163  1  0.5626  0.4034  0.0883  1
  O  O164  1  0.5730  0.2670  0.0331  1
  O  O165  1  0.5744  0.0715  0.4200  1
  O  O166  1  0.5759  0.6049  0.6950  1
  O  O167  1  0.5786  0.9334  0.3679  1
  O  O168  1  0.5811  0.5992  0.4136  1
  O  O169  1  0.5840  0.0565  0.1365  1
  O  O170  1  0.5892  0.4023  0.4140  1
  O  O171  1  0.5907  0.5922  0.8028  1
  O  O172  1  0.5925  0.4055  0.8025  1
  O  O173  1  0.5933  0.2665  0.7511  1
  O  O174  1  0.5934  0.9291  0.0761  1
  O  O175  1  0.5937  0.7247  0.4744  1
  O  O176  1  0.5990  0.7394  0.0770  1
  O  O177  1  0.6046  0.2463  0.4200  1
  O  O178  1  0.6108  0.5803  0.0881  1
  O  O179  1  0.6127  0.9159  0.7565  1
  O  O180  1  0.6131  0.7427  0.3641  1
  O  O181  1  0.6192  0.4057  0.6942  1
  O  O182  1  0.6194  0.0773  0.0290  1
  O  O183  1  0.6230  0.0771  0.7502  1
  O  O184  1  0.6232  0.2660  0.1417  1
  O  O185  1  0.6385  0.9411  0.4764  1
  O  O186  1  0.6760  0.8501  0.2560  1
  O  O187  1  0.6770  0.5164  0.5885  1
  O  O188  1  0.6778  0.1768  0.9196  1
  O  O189  1  0.6855  0.4980  0.9059  1
  O  O190  1  0.6881  0.1521  0.5341  1
  O  O191  1  0.6897  0.8224  0.8677  1
  O  O192  1  0.6905  0.8327  0.5781  1
  O  O193  1  0.6951  0.1628  0.2513  1
  O  O194  1  0.6979  0.4835  0.1933  1
  O  O195  1  0.7027  0.5080  0.3012  1
  O  O196  1  0.7100  0.1765  0.6426  1
  O  O197  1  0.7288  0.8481  0.9758  1
  O  O198  1  0.7803  0.3383  0.4754  1
  O  O199  1  0.7862  0.6787  0.1417  1
  O  O200  1  0.8009  0.6587  0.7518  1
  O  O201  1  0.8033  0.9860  0.6940  1
  O  O202  1  0.8034  0.3231  0.3646  1
  O  O203  1  0.8084  0.3301  0.0774  1
  O  O204  1  0.8127  0.6528  0.0333  1
  O  O205  1  0.8162  0.9981  0.4059  1
  O  O206  1  0.8184  0.0012  0.8018  1
  O  O207  1  0.8211  0.6795  0.4208  1
  O  O208  1  0.8247  0.0156  0.0877  1
  O  O209  1  0.8250  0.3481  0.7559  1
  O  O210  1  0.8638  0.4404  0.9761  1
  O  O211  1  0.8792  0.7624  0.6370  1
  O  O212  1  0.8800  0.5782  0.5300  1
  O  O213  1  0.8831  0.9059  0.1943  1
  O  O214  1  0.8858  0.2420  0.8639  1
  O  O215  1  0.8870  0.4113  0.2535  1
  O  O216  1  0.8881  0.0792  0.5886  1
  O  O217  1  0.8948  0.5742  0.2435  1
  O  O218  1  0.8954  0.7501  0.9199  1
  O  O219  1  0.8999  0.2384  0.5796  1
  O  O220  1  0.9035  0.0927  0.3027  1
  O  O221  1  0.9044  0.7657  0.2515  1
  O  O222  1  0.9048  0.9080  0.9058  1
  O  O223  1  0.9070  0.4295  0.5772  1
  O  O224  1  0.9083  0.9055  0.3025  1
  O  O225  1  0.9090  0.2138  0.9732  1
  O  O226  1  0.9097  0.0928  0.9054  1
  O  O227  1  0.9177  0.1060  0.1946  1
  O  O228  1  0.9187  0.5579  0.6371  1
  O  O229  1  0.9224  0.4337  0.8681  1
  O  O230  1  0.9239  0.7711  0.5296  1
  O  O231  1  0.9250  0.5731  0.9202  1
  O  O232  1  0.9323  0.2378  0.2572  1
  O  O233  1  0.9369  0.9039  0.5879  1
]