data_[Na18Mg3Zr21P36O144]
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 [8.9370]
_cell_length_b [15.4589]
_cell_length_c [23.2940]
_cell_angle_alpha [90.0068]
_cell_angle_beta [90.0312]
_cell_angle_gamma [90.0347]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6MgZr7(PO4)12]
_chemical_formula_sum '[Na18 Mg3 Zr21 P36 O144]'
_cell_volume [3218.2144]
_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  0.0004  0.6669  0.3356  1
  Na  Na1  1  0.0105  0.3313  0.1654  1
  Na  Na2  1  0.0108  0.6668  0.8301  1
  Na  Na3  1  0.3233  0.3139  0.7439  1
  Na  Na4  1  0.3675  0.0063  0.7437  1
  Na  Na5  1  0.4882  0.1668  0.3316  1
  Na  Na6  1  0.4939  0.8284  0.6609  1
  Na  Na7  1  0.4954  0.8304  0.1661  1
  Na  Na8  1  0.5002  0.5001  0.5003  1
  Na  Na9  1  0.5014  0.4984  0.0010  1
  Na  Na10  1  0.5107  0.1672  0.8315  1
  Na  Na11  1  0.6299  0.0062  0.2458  1
  Na  Na12  1  0.6765  0.3123  0.2460  1
  Na  Na13  1  0.8232  0.8139  0.7437  1
  Na  Na14  1  0.8675  0.5060  0.7437  1
  Na  Na15  1  0.9940  0.3284  0.6612  1
  Na  Na16  1  0.9990  0.0015  0.0016  1
  Na  Na17  1  0.9994  0.0000  0.5000  1
  Mg  Mg18  1  0.0080  0.6671  0.6808  1
  Mg  Mg19  1  0.4905  0.1668  0.1825  1
  Mg  Mg20  1  0.5079  0.1671  0.6809  1
  Zr  Zr21  1  0.0012  0.6669  0.1863  1
  Zr  Zr22  1  0.0030  1.0000  0.3533  1
  Zr  Zr23  1  0.0032  0.0026  0.1461  1
  Zr  Zr24  1  0.0078  0.3336  0.3153  1
  Zr  Zr25  1  0.4956  0.8303  0.3150  1
  Zr  Zr26  1  0.4961  0.8306  0.8158  1
  Zr  Zr27  1  0.4982  0.5001  0.8533  1
  Zr  Zr28  1  0.4983  0.4986  0.1460  1
  Zr  Zr29  1  0.4987  0.5012  0.6439  1
  Zr  Zr30  1  0.4989  0.5004  0.3540  1
  Zr  Zr31  1  0.4993  0.1666  0.9830  1
  Zr  Zr32  1  0.5008  0.8337  0.5206  1
  Zr  Zr33  1  0.5013  0.1664  0.4821  1
  Zr  Zr34  1  0.5013  0.8353  0.0209  1
  Zr  Zr35  1  0.9968  0.3306  0.8160  1
  Zr  Zr36  1  0.9986  0.0005  0.8532  1
  Zr  Zr37  1  0.9987  0.6664  0.9803  1
  Zr  Zr38  1  0.9988  0.3319  0.0211  1
  Zr  Zr39  1  0.9990  0.0013  0.6439  1
  Zr  Zr40  1  0.9996  0.3334  0.5209  1
  Zr  Zr41  1  0.9997  0.6667  0.4828  1
  P  P42  1  0.1432  0.8532  0.7495  1
  P  P43  1  0.1448  0.4797  0.4175  1
  P  P44  1  0.1449  0.5215  0.0831  1
  P  P45  1  0.1452  0.8121  0.0831  1
  P  P46  1  0.1470  0.1877  0.4176  1
  P  P47  1  0.1479  0.1458  0.7494  1
  P  P48  1  0.2066  0.5024  0.7499  1
  P  P49  1  0.2080  0.8327  0.4176  1
  P  P50  1  0.2123  0.1673  0.0850  1
  P  P51  1  0.2878  0.6680  0.5850  1
  P  P52  1  0.2916  0.3326  0.9168  1
  P  P53  1  0.2940  0.0021  0.2497  1
  P  P54  1  0.3538  0.6874  0.9182  1
  P  P55  1  0.3543  0.3102  0.5863  1
  P  P56  1  0.3545  0.9798  0.9163  1
  P  P57  1  0.3552  0.6446  0.2495  1
  P  P58  1  0.3563  0.3526  0.2495  1
  P  P59  1  0.3572  0.0220  0.5862  1
  P  P60  1  0.6434  0.3531  0.7494  1
  P  P61  1  0.6448  0.3108  0.0864  1
  P  P62  1  0.6452  0.0225  0.0864  1
  P  P63  1  0.6454  0.9790  0.4158  1
  P  P64  1  0.6467  0.6880  0.4171  1
  P  P65  1  0.6478  0.6457  0.7495  1
  P  P66  1  0.7067  0.0023  0.7500  1
  P  P67  1  0.7093  0.3328  0.4158  1
  P  P68  1  0.7094  0.6665  0.0835  1
  P  P69  1  0.7876  0.1678  0.5851  1
  P  P70  1  0.7902  0.5003  0.2504  1
  P  P71  1  0.7915  0.8330  0.9163  1
  P  P72  1  0.8520  0.1464  0.2498  1
  P  P73  1  0.8520  0.1869  0.9177  1
  P  P74  1  0.8543  0.8104  0.5865  1
  P  P75  1  0.8545  0.4789  0.9165  1
  P  P76  1  0.8552  0.8551  0.2499  1
  P  P77  1  0.8568  0.5219  0.5863  1
  O  O78  1  0.0684  0.7652  0.7445  1
  O  O79  1  0.0730  0.5699  0.4230  1
  O  O80  1  0.0736  0.9023  0.0895  1
  O  O81  1  0.0739  0.4310  0.0770  1
  O  O82  1  0.0744  0.0975  0.4103  1
  O  O83  1  0.0746  0.8988  0.8033  1
  O  O84  1  0.0760  0.1024  0.6966  1
  O  O85  1  0.0775  0.5650  0.1368  1
  O  O86  1  0.0776  0.7680  0.0295  1
  O  O87  1  0.0781  0.4360  0.3632  1
  O  O88  1  0.0782  0.2316  0.4703  1
  O  O89  1  0.0793  0.2382  0.7565  1
  O  O90  1  0.1006  0.5786  0.7450  1
  O  O91  1  0.1077  0.2470  0.0757  1
  O  O92  1  0.1080  0.7518  0.4231  1
  O  O93  1  0.1089  0.9140  0.4105  1
  O  O94  1  0.1094  0.0857  0.0888  1
  O  O95  1  0.1094  0.4173  0.7572  1
  O  O96  1  0.1132  0.5771  0.0294  1
  O  O97  1  0.1138  0.4233  0.4703  1
  O  O98  1  0.1142  0.7562  0.1368  1
  O  O99  1  0.1144  0.0883  0.8029  1
  O  O100  1  0.1152  0.2431  0.3634  1
  O  O101  1  0.1189  0.9134  0.6971  1
  O  O102  1  0.1825  0.6783  0.9233  1
  O  O103  1  0.1829  0.9883  0.9098  1
  O  O104  1  0.1831  0.3223  0.5766  1
  O  O105  1  0.1831  0.0115  0.5896  1
  O  O106  1  0.1835  0.6547  0.2431  1
  O  O107  1  0.1840  0.3452  0.2562  1
  O  O108  1  0.1892  0.3450  0.9689  1
  O  O109  1  0.1916  0.0108  0.3032  1
  O  O110  1  0.1918  0.6547  0.5300  1
  O  O111  1  0.1924  0.9875  0.1967  1
  O  O112  1  0.1959  0.6811  0.6382  1
  O  O113  1  0.1965  0.3216  0.8611  1
  O  O114  1  0.3046  0.1812  0.1378  1
  O  O115  1  0.3065  0.8208  0.3634  1
  O  O116  1  0.3076  0.1545  0.0297  1
  O  O117  1  0.3081  0.8451  0.4704  1
  O  O118  1  0.3083  0.5115  0.8037  1
  O  O119  1  0.3091  0.4840  0.6979  1
  O  O120  1  0.3161  0.4885  0.4103  1
  O  O121  1  0.3164  0.5125  0.0890  1
  O  O122  1  0.3168  0.8211  0.0769  1
  O  O123  1  0.3171  0.8490  0.7571  1
  O  O124  1  0.3181  0.1784  0.4232  1
  O  O125  1  0.3185  0.1553  0.7451  1
  O  O126  1  0.3790  0.2603  0.6417  1
  O  O127  1  0.3846  0.7425  0.8638  1
  O  O128  1  0.3857  0.4108  0.1962  1
  O  O129  1  0.3857  0.5898  0.3035  1
  O  O130  1  0.3874  0.9223  0.9687  1
  O  O131  1  0.3885  0.0778  0.5322  1
  O  O132  1  0.3899  0.5859  0.5895  1
  O  O133  1  0.3910  0.4142  0.9103  1
  O  O134  1  0.3913  0.2520  0.9228  1
  O  O135  1  0.3928  0.7473  0.5761  1
  O  O136  1  0.3958  0.9195  0.2563  1
  O  O137  1  0.3986  0.0797  0.2449  1
  O  O138  1  0.4190  0.0596  0.6417  1
  O  O139  1  0.4192  0.9373  0.8610  1
  O  O140  1  0.4223  0.7318  0.9708  1
  O  O141  1  0.4229  0.6015  0.1960  1
  O  O142  1  0.4230  0.2667  0.5323  1
  O  O143  1  0.4251  0.9303  0.5767  1
  O  O144  1  0.4257  0.3994  0.3027  1
  O  O145  1  0.4259  0.4025  0.5900  1
  O  O146  1  0.4261  0.5973  0.9107  1
  O  O147  1  0.4262  0.7355  0.2557  1
  O  O148  1  0.4270  0.0695  0.9227  1
  O  O149  1  0.4334  0.2652  0.2444  1
  O  O150  1  0.5685  0.2653  0.7444  1
  O  O151  1  0.5733  0.0692  0.4227  1
  O  O152  1  0.5739  0.4032  0.0896  1
  O  O153  1  0.5744  0.5977  0.4100  1
  O  O154  1  0.5747  0.3989  0.8032  1
  O  O155  1  0.5758  0.9307  0.0760  1
  O  O156  1  0.5762  0.6025  0.6967  1
  O  O157  1  0.5769  0.2676  0.0319  1
  O  O158  1  0.5780  0.7315  0.4701  1
  O  O159  1  0.5794  0.7381  0.7566  1
  O  O160  1  0.5802  0.9370  0.3604  1
  O  O161  1  0.5809  0.0598  0.1412  1
  O  O162  1  0.6007  0.0785  0.7450  1
  O  O163  1  0.6090  0.2522  0.4225  1
  O  O164  1  0.6093  0.4141  0.4096  1
  O  O165  1  0.6095  0.9172  0.7573  1
  O  O166  1  0.6098  0.5855  0.0898  1
  O  O167  1  0.6099  0.7476  0.0769  1
  O  O168  1  0.6125  0.9222  0.4684  1
  O  O169  1  0.6128  0.0775  0.0319  1
  O  O170  1  0.6143  0.5882  0.8030  1
  O  O171  1  0.6144  0.7432  0.3630  1
  O  O172  1  0.6189  0.4135  0.6971  1
  O  O173  1  0.6204  0.2603  0.1413  1
  O  O174  1  0.6812  0.1780  0.9230  1
  O  O175  1  0.6815  0.1553  0.2448  1
  O  O176  1  0.6819  0.8494  0.2564  1
  O  O177  1  0.6830  0.5115  0.5896  1
  O  O178  1  0.6830  0.4886  0.9100  1
  O  O179  1  0.6832  0.8224  0.5767  1
  O  O180  1  0.6898  0.8446  0.9688  1
  O  O181  1  0.6903  0.4852  0.1971  1
  O  O182  1  0.6916  0.5126  0.3038  1
  O  O183  1  0.6921  0.1547  0.5300  1
  O  O184  1  0.6959  0.1812  0.6382  1
  O  O185  1  0.6966  0.8212  0.8609  1
  O  O186  1  0.8044  0.3217  0.3603  1
  O  O187  1  0.8083  0.0114  0.8037  1
  O  O188  1  0.8084  0.6546  0.0297  1
  O  O189  1  0.8091  0.9838  0.6979  1
  O  O190  1  0.8092  0.6786  0.1370  1
  O  O191  1  0.8108  0.3451  0.4684  1
  O  O192  1  0.8161  0.3230  0.0761  1
  O  O193  1  0.8171  0.9884  0.4095  1
  O  O194  1  0.8173  0.3491  0.7571  1
  O  O195  1  0.8178  0.6784  0.4230  1
  O  O196  1  0.8183  0.0109  0.0897  1
  O  O197  1  0.8186  0.6553  0.7452  1
  O  O198  1  0.8790  0.7602  0.6418  1
  O  O199  1  0.8829  0.9126  0.1968  1
  O  O200  1  0.8843  0.2424  0.8635  1
  O  O201  1  0.8849  0.4162  0.2567  1
  O  O202  1  0.8856  0.0880  0.3026  1
  O  O203  1  0.8881  0.4222  0.9688  1
  O  O204  1  0.8882  0.5777  0.5323  1
  O  O205  1  0.8900  0.0859  0.5895  1
  O  O206  1  0.8909  0.7520  0.9226  1
  O  O207  1  0.8912  0.9142  0.9103  1
  O  O208  1  0.8920  0.5799  0.2435  1
  O  O209  1  0.8925  0.2472  0.5761  1
  O  O210  1  0.9191  0.5596  0.6417  1
  O  O211  1  0.9193  0.4377  0.8609  1
  O  O212  1  0.9207  0.2387  0.2564  1
  O  O213  1  0.9214  0.2310  0.9703  1
  O  O214  1  0.9224  0.8977  0.3038  1
  O  O215  1  0.9227  0.7670  0.5324  1
  O  O216  1  0.9232  0.1028  0.1966  1
  O  O217  1  0.9239  0.7643  0.2433  1
  O  O218  1  0.9247  0.4304  0.5767  1
  O  O219  1  0.9256  0.0971  0.9104  1
  O  O220  1  0.9260  0.9025  0.5900  1
  O  O221  1  0.9265  0.5693  0.9227  1
]