data_[Na42Mg15Zr9P36O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  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 [9.0210]
_cell_length_b [15.6082]
_cell_length_c [22.4502]
_cell_angle_alpha [89.9627]
_cell_angle_beta [89.8948]
_cell_angle_gamma [89.8561]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14Mg5Zr3(PO4)12]
_chemical_formula_sum '[Na42 Mg15 Zr9 P36 O144]'
_cell_volume [3160.9927]
_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  0.0031  0.6628  0.6627  1
  Na  Na1  1  0.0040  0.3377  0.8322  1
  Na  Na2  1  0.0088  0.3330  0.3323  1
  Na  Na3  1  0.1311  0.1668  0.4182  1
  Na  Na4  1  0.1726  0.5161  0.0795  1
  Na  Na5  1  0.1744  0.1853  0.7477  1
  Na  Na6  1  0.1839  0.4823  0.4181  1
  Na  Na7  1  0.1849  0.8510  0.4182  1
  Na  Na8  1  0.1858  0.1554  0.0802  1
  Na  Na9  1  0.1880  0.8199  0.7479  1
  Na  Na10  1  0.3089  0.9872  0.9147  1
  Na  Na11  1  0.3116  0.6547  0.5797  1
  Na  Na12  1  0.3152  0.3508  0.9181  1
  Na  Na13  1  0.3233  0.6848  0.2481  1
  Na  Na14  1  0.3265  0.0162  0.5801  1
  Na  Na15  1  0.3612  0.3285  0.5796  1
  Na  Na16  1  0.3618  0.6623  0.9151  1
  Na  Na17  1  0.3655  0.9948  0.2485  1
  Na  Na18  1  0.4959  0.1709  0.1632  1
  Na  Na19  1  0.4997  0.5000  0.4951  1
  Na  Na20  1  0.4998  0.4989  0.9954  1
  Na  Na21  1  0.5033  0.1624  0.6625  1
  Na  Na22  1  0.5086  0.8333  0.3324  1
  Na  Na23  1  0.5115  0.8386  0.8282  1
  Na  Na24  1  0.6313  0.6669  0.4183  1
  Na  Na25  1  0.6387  0.3284  0.0799  1
  Na  Na26  1  0.6757  0.6857  0.7474  1
  Na  Na27  1  0.6757  0.0189  0.0815  1
  Na  Na28  1  0.6841  0.9823  0.4180  1
  Na  Na29  1  0.6850  0.3509  0.4183  1
  Na  Na30  1  0.6893  0.3194  0.7477  1
  Na  Na31  1  0.6898  0.6529  0.0818  1
  Na  Na32  1  0.8119  0.1545  0.5798  1
  Na  Na33  1  0.8165  0.4814  0.9183  1
  Na  Na34  1  0.8239  0.1843  0.2477  1
  Na  Na35  1  0.8269  0.5162  0.5800  1
  Na  Na36  1  0.8615  0.8287  0.5798  1
  Na  Na37  1  0.8662  0.4949  0.2477  1
  Na  Na38  1  0.8714  0.1674  0.9183  1
  Na  Na39  1  0.9982  0.9923  0.9948  1
  Na  Na40  1  0.9994  0.6744  0.1615  1
  Na  Na41  1  0.9997  1.0000  0.4952  1
  Mg  Mg42  1  0.0000  0.6666  0.5160  1
  Mg  Mg43  1  0.0003  0.3337  0.4841  1
  Mg  Mg44  1  0.0006  0.3331  0.9844  1
  Mg  Mg45  1  0.0026  0.6704  0.0172  1
  Mg  Mg46  1  0.0028  0.3368  0.6829  1
  Mg  Mg47  1  0.0065  0.3328  0.1829  1
  Mg  Mg48  1  0.4985  0.4995  0.3499  1
  Mg  Mg49  1  0.4987  0.4991  0.8497  1
  Mg  Mg50  1  0.4997  0.1674  0.0162  1
  Mg  Mg51  1  0.5000  0.1665  0.5160  1
  Mg  Mg52  1  0.5002  0.8337  0.4841  1
  Mg  Mg53  1  0.5030  0.8370  0.6827  1
  Mg  Mg54  1  0.5055  0.8329  0.1843  1
  Mg  Mg55  1  0.9947  0.9968  0.8508  1
  Mg  Mg56  1  0.9986  0.9994  0.3498  1
  Zr  Zr57  1  0.0011  0.9961  0.1485  1
  Zr  Zr58  1  0.0019  0.6647  0.8160  1
  Zr  Zr59  1  0.4966  0.1690  0.3160  1
  Zr  Zr60  1  0.4978  0.4999  0.6492  1
  Zr  Zr61  1  0.4988  0.4988  0.1493  1
  Zr  Zr62  1  0.5017  0.1643  0.8156  1
  Zr  Zr63  1  0.5038  0.8336  0.9819  1
  Zr  Zr64  1  0.9966  0.6692  0.3160  1
  Zr  Zr65  1  0.9973  0.9996  0.6495  1
  P  P66  1  0.1425  0.4795  0.5823  1
  P  P67  1  0.1429  0.8148  0.9183  1
  P  P68  1  0.1435  0.1480  0.2513  1
  P  P69  1  0.1478  0.1883  0.5834  1
  P  P70  1  0.1488  0.5181  0.9200  1
  P  P71  1  0.1505  0.8534  0.2527  1
  P  P72  1  0.2030  0.1664  0.9186  1
  P  P73  1  0.2044  0.4973  0.2525  1
  P  P74  1  0.2089  0.8316  0.5835  1
  P  P75  1  0.2906  0.3316  0.0823  1
  P  P76  1  0.2944  0.9977  0.7519  1
  P  P77  1  0.2968  0.6664  0.4185  1
  P  P78  1  0.3478  0.3536  0.7525  1
  P  P79  1  0.3482  0.6880  0.0857  1
  P  P80  1  0.3509  0.0184  0.4186  1
  P  P81  1  0.3518  0.3157  0.4199  1
  P  P82  1  0.3551  0.6485  0.7520  1
  P  P83  1  0.3554  0.9811  0.0850  1
  P  P84  1  0.6427  0.9796  0.5822  1
  P  P85  1  0.6438  0.6485  0.2518  1
  P  P86  1  0.6479  0.6884  0.5833  1
  P  P87  1  0.6480  0.3152  0.9185  1
  P  P88  1  0.6504  0.3534  0.2519  1
  P  P89  1  0.6516  0.0205  0.9194  1
  P  P90  1  0.7052  0.9972  0.2521  1
  P  P91  1  0.7061  0.6646  0.9184  1
  P  P92  1  0.7089  0.3316  0.5835  1
  P  P93  1  0.7932  0.8306  0.0853  1
  P  P94  1  0.7948  0.4978  0.7519  1
  P  P95  1  0.7967  0.1664  0.4185  1
  P  P96  1  0.8486  0.8541  0.7521  1
  P  P97  1  0.8509  0.5184  0.4185  1
  P  P98  1  0.8517  0.8158  0.4200  1
  P  P99  1  0.8522  0.1880  0.0836  1
  P  P100  1  0.8557  0.1483  0.7521  1
  P  P101  1  0.8567  0.4798  0.0833  1
  O  O102  1  0.0710  0.2355  0.2434  1
  O  O103  1  0.0731  0.4376  0.6365  1
  O  O104  1  0.0740  0.2258  0.5277  1
  O  O105  1  0.0741  0.4295  0.9219  1
  O  O106  1  0.0752  0.5643  0.8647  1
  O  O107  1  0.0758  0.0955  0.5897  1
  O  O108  1  0.0774  0.1049  0.3061  1
  O  O109  1  0.0779  0.8963  0.1971  1
  O  O110  1  0.0781  0.5714  0.5773  1
  O  O111  1  0.0792  0.7693  0.9708  1
  O  O112  1  0.0810  0.7617  0.2555  1
  O  O113  1  0.0848  0.9064  0.9110  1
  O  O114  1  0.0989  0.4221  0.2446  1
  O  O115  1  0.1047  0.7532  0.5779  1
  O  O116  1  0.1056  0.0862  0.9109  1
  O  O117  1  0.1060  0.9144  0.5898  1
  O  O118  1  0.1079  0.2486  0.9216  1
  O  O119  1  0.1081  0.5823  0.2555  1
  O  O120  1  0.1199  0.0896  0.1949  1
  O  O121  1  0.1203  0.2414  0.6397  1
  O  O122  1  0.1219  0.9081  0.3074  1
  O  O123  1  0.1224  0.5751  0.9743  1
  O  O124  1  0.1228  0.7584  0.8604  1
  O  O125  1  0.1272  0.4252  0.5258  1
  O  O126  1  0.1813  0.0102  0.4110  1
  O  O127  1  0.1814  0.3223  0.4221  1
  O  O128  1  0.1824  0.3383  0.7447  1
  O  O129  1  0.1827  0.6717  0.0782  1
  O  O130  1  0.1828  0.6594  0.7553  1
  O  O131  1  0.1831  0.9928  0.0884  1
  O  O132  1  0.1931  0.3179  0.1365  1
  O  O133  1  0.1949  0.6804  0.3620  1
  O  O134  1  0.1953  0.0148  0.6953  1
  O  O135  1  0.1967  0.9865  0.8066  1
  O  O136  1  0.1968  0.6517  0.4727  1
  O  O137  1  0.2015  0.3510  0.0257  1
  O  O138  1  0.3015  0.4884  0.3069  1
  O  O139  1  0.3019  0.8500  0.5277  1
  O  O140  1  0.3021  0.8185  0.6397  1
  O  O141  1  0.3031  0.5148  0.1957  1
  O  O142  1  0.3037  0.1512  0.9725  1
  O  O143  1  0.3054  0.1802  0.8619  1
  O  O144  1  0.3173  0.1519  0.2551  1
  O  O145  1  0.3178  0.1753  0.5778  1
  O  O146  1  0.3178  0.4898  0.5898  1
  O  O147  1  0.3183  0.5100  0.9111  1
  O  O148  1  0.3188  0.8432  0.2444  1
  O  O149  1  0.3190  0.8212  0.9222  1
  O  O150  1  0.3786  0.0759  0.4726  1
  O  O151  1  0.3821  0.5929  0.6950  1
  O  O152  1  0.3827  0.9258  0.0279  1
  O  O153  1  0.3832  0.7401  0.1406  1
  O  O154  1  0.3832  0.4064  0.8071  1
  O  O155  1  0.3833  0.2559  0.3646  1
  O  O156  1  0.3872  0.0826  0.7554  1
  O  O157  1  0.3894  0.9176  0.7437  1
  O  O158  1  0.3924  0.7481  0.4215  1
  O  O159  1  0.3937  0.4141  0.0896  1
  O  O160  1  0.3946  0.5857  0.4111  1
  O  O161  1  0.3961  0.2533  0.0772  1
  O  O162  1  0.4228  0.0623  0.3618  1
  O  O163  1  0.4231  0.6057  0.8063  1
  O  O164  1  0.4231  0.9389  0.1394  1
  O  O165  1  0.4237  0.3940  0.6958  1
  O  O166  1  0.4239  0.2739  0.4743  1
  O  O167  1  0.4240  0.7380  0.7447  1
  O  O168  1  0.4240  0.0711  0.0778  1
  O  O169  1  0.4243  0.4043  0.4113  1
  O  O170  1  0.4244  0.7279  0.0290  1
  O  O171  1  0.4259  0.9296  0.4215  1
  O  O172  1  0.4274  0.2629  0.7555  1
  O  O173  1  0.4276  0.5966  0.0888  1
  O  O174  1  0.5702  0.9319  0.9223  1
  O  O175  1  0.5711  0.7358  0.2439  1
  O  O176  1  0.5731  0.9377  0.6365  1
  O  O177  1  0.5732  0.0629  0.8643  1
  O  O178  1  0.5740  0.7257  0.5277  1
  O  O179  1  0.5758  0.5955  0.5896  1
  O  O180  1  0.5758  0.4044  0.9111  1
  O  O181  1  0.5760  0.2726  0.9726  1
  O  O182  1  0.5772  0.6049  0.3063  1
  O  O183  1  0.5780  0.0715  0.5772  1
  O  O184  1  0.5802  0.3946  0.1948  1
  O  O185  1  0.5806  0.2617  0.2552  1
  O  O186  1  0.5988  0.9223  0.2445  1
  O  O187  1  0.6022  0.7451  0.9219  1
  O  O188  1  0.6046  0.2532  0.5779  1
  O  O189  1  0.6055  0.5854  0.9112  1
  O  O190  1  0.6057  0.4143  0.5899  1
  O  O191  1  0.6082  0.0823  0.2552  1
  O  O192  1  0.6180  0.2571  0.8620  1
  O  O193  1  0.6198  0.5903  0.1951  1
  O  O194  1  0.6199  0.4089  0.3060  1
  O  O195  1  0.6200  0.7413  0.6397  1
  O  O196  1  0.6204  0.0742  0.9748  1
  O  O197  1  0.6271  0.9252  0.5257  1
  O  O198  1  0.6810  0.4900  0.0895  1
  O  O199  1  0.6813  0.8223  0.4221  1
  O  O200  1  0.6814  0.5101  0.4109  1
  O  O201  1  0.6822  0.1754  0.0778  1
  O  O202  1  0.6824  0.8379  0.7444  1
  O  O203  1  0.6830  0.1594  0.7554  1
  O  O204  1  0.6929  0.8180  0.1383  1
  O  O205  1  0.6932  0.8490  0.0292  1
  O  O206  1  0.6947  0.1804  0.3619  1
  O  O207  1  0.6952  0.5150  0.6954  1
  O  O208  1  0.6964  0.4863  0.8065  1
  O  O209  1  0.6968  0.1518  0.4727  1
  O  O210  1  0.8013  0.9884  0.3069  1
  O  O211  1  0.8017  0.3502  0.5277  1
  O  O212  1  0.8020  0.3186  0.6397  1
  O  O213  1  0.8023  0.6792  0.8612  1
  O  O214  1  0.8028  0.6518  0.9729  1
  O  O215  1  0.8039  0.0145  0.1955  1
  O  O216  1  0.8173  0.6521  0.2553  1
  O  O217  1  0.8177  0.6753  0.5778  1
  O  O218  1  0.8178  0.9899  0.5896  1
  O  O219  1  0.8181  0.0136  0.9106  1
  O  O220  1  0.8185  0.3221  0.9214  1
  O  O221  1  0.8189  0.3431  0.2444  1
  O  O222  1  0.8755  0.4240  0.0275  1
  O  O223  1  0.8783  0.2418  0.1396  1
  O  O224  1  0.8785  0.5759  0.4726  1
  O  O225  1  0.8818  0.0929  0.6949  1
  O  O226  1  0.8831  0.7559  0.3647  1
  O  O227  1  0.8850  0.9091  0.8043  1
  O  O228  1  0.8861  0.9155  0.0890  1
  O  O229  1  0.8871  0.5827  0.7555  1
  O  O230  1  0.8892  0.7511  0.0767  1
  O  O231  1  0.8892  0.4177  0.7437  1
  O  O232  1  0.8924  0.2482  0.4214  1
  O  O233  1  0.8945  0.0857  0.4110  1
  O  O234  1  0.9216  0.5712  0.0777  1
  O  O235  1  0.9220  0.4392  0.1396  1
  O  O236  1  0.9228  0.5623  0.3618  1
  O  O237  1  0.9230  0.8924  0.6941  1
  O  O238  1  0.9238  0.2379  0.7445  1
  O  O239  1  0.9238  0.7738  0.4743  1
  O  O240  1  0.9239  0.1054  0.8061  1
  O  O241  1  0.9241  0.9044  0.4114  1
  O  O242  1  0.9244  0.0954  0.0902  1
  O  O243  1  0.9259  0.2256  0.0277  1
  O  O244  1  0.9260  0.4296  0.4215  1
  O  O245  1  0.9271  0.7629  0.7557  1
]