data_[Na18Ca12La12Si3S33O144]
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
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.3620]
_cell_length_b [16.2080]
_cell_length_c [24.7607]
_cell_angle_alpha [89.9601]
_cell_angle_beta [89.9904]
_cell_angle_gamma [89.9569]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Ca4La4SiS11O48]
_chemical_formula_sum '[Na18 Ca12 La12 Si3 S33 O144]'
_cell_volume [3757.1727]
_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  0.0198  0.3326  0.8266  1
  Na  Na1  1  0.0413  0.6651  0.1609  1
  Na  Na2  1  0.1625  0.1832  0.2560  1
  Na  Na3  1  0.3566  0.0076  0.7441  1
  Na  Na4  1  0.4652  0.1757  0.6645  1
  Na  Na5  1  0.4749  0.8222  0.3352  1
  Na  Na6  1  0.5005  0.4990  0.9984  1
  Na  Na7  1  0.5019  0.4942  0.5099  1
  Na  Na8  1  0.5091  0.8196  0.8276  1
  Na  Na9  1  0.5232  0.1658  0.1627  1
  Na  Na10  1  0.6405  0.0116  0.2482  1
  Na  Na11  1  0.6636  0.6825  0.2511  1
  Na  Na12  1  0.6904  0.3072  0.2521  1
  Na  Na13  1  0.8274  0.1802  0.7550  1
  Na  Na14  1  0.9942  0.3248  0.3401  1
  Na  Na15  1  0.9988  0.6651  0.6747  1
  Na  Na16  1  0.9997  0.0032  0.5023  1
  Na  Na17  1  0.9999  0.9965  0.9980  1
  Ca  Ca18  1  0.0006  0.3333  0.1794  1
  Ca  Ca19  1  0.4869  0.1711  0.8179  1
  Ca  Ca20  1  0.4873  0.8298  0.1804  1
  Ca  Ca21  1  0.4997  0.5008  0.6501  1
  Ca  Ca22  1  0.4999  0.1671  0.0163  1
  Ca  Ca23  1  0.5010  0.8290  0.6792  1
  Ca  Ca24  1  0.5012  0.1661  0.5155  1
  Ca  Ca25  1  0.5018  0.8334  0.4856  1
  Ca  Ca26  1  0.5074  0.1665  0.3251  1
  Ca  Ca27  1  0.9982  0.6666  0.8170  1
  Ca  Ca28  1  0.9990  0.3309  0.4855  1
  Ca  Ca29  1  0.9992  0.6666  0.0158  1
  La  La30  1  0.0003  0.0013  0.8504  1
  La  La31  1  0.0008  0.6678  0.5199  1
  La  La32  1  0.0053  0.0015  0.6484  1
  La  La33  1  0.0137  0.3331  0.6805  1
  La  La34  1  0.0224  0.6661  0.3170  1
  La  La35  1  0.4853  0.5039  0.1488  1
  La  La36  1  0.4921  0.5034  0.3521  1
  La  La37  1  0.4996  0.8322  0.9822  1
  La  La38  1  0.5028  0.5017  0.8490  1
  La  La39  1  0.9955  0.0035  0.1494  1
  La  La40  1  0.9961  0.3324  0.9818  1
  La  La41  1  0.9962  0.0072  0.3522  1
  Si  Si42  1  0.1516  0.1506  0.7507  1
  Si  Si43  1  0.3548  0.6571  0.2495  1
  Si  Si44  1  0.8453  0.1547  0.2493  1
  S  S45  1  0.1422  0.4859  0.0824  1
  S  S46  1  0.1454  0.5096  0.4196  1
  S  S47  1  0.1578  0.8468  0.7499  1
  S  S48  1  0.1593  0.8203  0.4189  1
  S  S49  1  0.1598  0.1843  0.0849  1
  S  S50  1  0.1941  0.8303  0.0826  1
  S  S51  1  0.1996  0.5048  0.7492  1
  S  S52  1  0.2020  0.1711  0.4162  1
  S  S53  1  0.2925  0.6660  0.9165  1
  S  S54  1  0.3083  0.0026  0.2507  1
  S  S55  1  0.3093  0.3346  0.5797  1
  S  S56  1  0.3483  0.3434  0.2505  1
  S  S57  1  0.3534  0.3168  0.9182  1
  S  S58  1  0.3542  0.0192  0.9163  1
  S  S59  1  0.3561  0.6822  0.5832  1
  S  S60  1  0.3573  0.9836  0.5840  1
  S  S61  1  0.6432  0.0132  0.4167  1
  S  S62  1  0.6440  0.9859  0.0855  1
  S  S63  1  0.6500  0.3472  0.7486  1
  S  S64  1  0.6533  0.6520  0.7480  1
  S  S65  1  0.6567  0.3164  0.4161  1
  S  S66  1  0.6598  0.6839  0.0853  1
  S  S67  1  0.6906  0.0002  0.7504  1
  S  S68  1  0.6954  0.3300  0.0856  1
  S  S69  1  0.6979  0.6708  0.4151  1
  S  S70  1  0.7925  0.1664  0.9154  1
  S  S71  1  0.7950  0.8338  0.5829  1
  S  S72  1  0.7994  0.4980  0.2488  1
  S  S73  1  0.8405  0.8491  0.2491  1
  S  S74  1  0.8426  0.4820  0.5821  1
  S  S75  1  0.8429  0.1835  0.5825  1
  S  S76  1  0.8524  0.5204  0.9168  1
  S  S77  1  0.8531  0.8129  0.9171  1
  O  O78  1  0.0673  0.2404  0.7468  1
  O  O79  1  0.0752  0.1050  0.8030  1
  O  O80  1  0.0780  0.5693  0.0806  1
  O  O81  1  0.0785  0.4277  0.4225  1
  O  O82  1  0.0906  0.9031  0.4174  1
  O  O83  1  0.0929  0.1002  0.0836  1
  O  O84  1  0.0952  0.8863  0.7010  1
  O  O85  1  0.0965  0.5506  0.3686  1
  O  O86  1  0.0971  0.4432  0.1322  1
  O  O87  1  0.0988  0.7628  0.7553  1
  O  O88  1  0.1006  0.2305  0.0377  1
  O  O89  1  0.1006  0.4372  0.0339  1
  O  O90  1  0.1013  0.7749  0.4661  1
  O  O91  1  0.1020  0.9058  0.0830  1
  O  O92  1  0.1045  0.7552  0.0797  1
  O  O93  1  0.1062  0.4295  0.7487  1
  O  O94  1  0.1064  0.5623  0.4663  1
  O  O95  1  0.1079  0.2450  0.4192  1
  O  O96  1  0.1090  0.5797  0.7523  1
  O  O97  1  0.1100  0.0945  0.4178  1
  O  O98  1  0.1123  0.0925  0.6980  1
  O  O99  1  0.1229  0.2271  0.1360  1
  O  O100  1  0.1232  0.7739  0.3683  1
  O  O101  1  0.1242  0.8986  0.7982  1
  O  O102  1  0.1795  0.6684  0.2514  1
  O  O103  1  0.1914  0.3335  0.2440  1
  O  O104  1  0.1935  0.3270  0.9198  1
  O  O105  1  0.1946  0.0086  0.9173  1
  O  O106  1  0.1953  0.6730  0.5808  1
  O  O107  1  0.1961  0.9908  0.5827  1
  O  O108  1  0.2049  0.6706  0.8675  1
  O  O109  1  0.2070  0.6617  0.9663  1
  O  O110  1  0.2115  0.3418  0.5333  1
  O  O111  1  0.2155  0.0110  0.2020  1
  O  O112  1  0.2181  0.9876  0.2990  1
  O  O113  1  0.2233  0.3260  0.6310  1
  O  O114  1  0.2789  0.1734  0.3631  1
  O  O115  1  0.2822  0.8264  0.1320  1
  O  O116  1  0.2875  0.8367  0.0338  1
  O  O117  1  0.2899  0.4975  0.7991  1
  O  O118  1  0.2906  0.5076  0.7009  1
  O  O119  1  0.3015  0.1666  0.4617  1
  O  O120  1  0.3022  0.4927  0.0804  1
  O  O121  1  0.3043  0.5024  0.4191  1
  O  O122  1  0.3163  0.8273  0.4214  1
  O  O123  1  0.3166  0.1767  0.0806  1
  O  O124  1  0.3173  0.8463  0.7455  1
  O  O125  1  0.3248  0.1525  0.7535  1
  O  O126  1  0.3777  0.3942  0.2991  1
  O  O127  1  0.3872  0.7307  0.6324  1
  O  O128  1  0.3876  0.2716  0.8683  1
  O  O129  1  0.3882  0.7409  0.9176  1
  O  O130  1  0.3885  0.5912  0.9150  1
  O  O131  1  0.3886  0.0821  0.2563  1
  O  O132  1  0.3923  0.6013  0.1958  1
  O  O133  1  0.3958  0.0681  0.9638  1
  O  O134  1  0.3986  0.4102  0.5838  1
  O  O135  1  0.3995  0.9321  0.5377  1
  O  O136  1  0.3999  0.2596  0.5768  1
  O  O137  1  0.4002  0.0574  0.8650  1
  O  O138  1  0.4005  0.9449  0.6364  1
  O  O139  1  0.4043  0.2747  0.9670  1
  O  O140  1  0.4068  0.7243  0.5340  1
  O  O141  1  0.4130  0.9344  0.2445  1
  O  O142  1  0.4143  0.2598  0.2562  1
  O  O143  1  0.4151  0.3829  0.2022  1
  O  O144  1  0.4174  0.6057  0.3023  1
  O  O145  1  0.4186  0.4016  0.9165  1
  O  O146  1  0.4203  0.5985  0.5862  1
  O  O147  1  0.4203  0.9347  0.9190  1
  O  O148  1  0.4203  0.0675  0.5809  1
  O  O149  1  0.4411  0.7444  0.2488  1
  O  O150  1  0.5782  0.9302  0.4210  1
  O  O151  1  0.5789  0.0692  0.0819  1
  O  O152  1  0.5859  0.9314  0.7447  1
  O  O153  1  0.5862  0.7356  0.7460  1
  O  O154  1  0.5898  0.4008  0.4160  1
  O  O155  1  0.5922  0.2614  0.7524  1
  O  O156  1  0.5928  0.5997  0.0841  1
  O  O157  1  0.5930  0.3896  0.7010  1
  O  O158  1  0.5973  0.2694  0.4616  1
  O  O159  1  0.5977  0.6111  0.7985  1
  O  O160  1  0.5992  0.9459  0.1367  1
  O  O161  1  0.5996  0.0499  0.3636  1
  O  O162  1  0.5998  0.7296  0.0378  1
  O  O163  1  0.6010  0.9347  0.0382  1
  O  O164  1  0.6035  0.4053  0.0843  1
  O  O165  1  0.6038  0.0670  0.4619  1
  O  O166  1  0.6060  0.7448  0.4188  1
  O  O167  1  0.6065  0.2546  0.0819  1
  O  O168  1  0.6094  0.5941  0.4171  1
  O  O169  1  0.6105  0.0797  0.7559  1
  O  O170  1  0.6154  0.6016  0.7007  1
  O  O171  1  0.6156  0.3944  0.7989  1
  O  O172  1  0.6229  0.7278  0.1360  1
  O  O173  1  0.6244  0.2754  0.3631  1
  O  O174  1  0.6709  0.1615  0.2548  1
  O  O175  1  0.6823  0.8512  0.2438  1
  O  O176  1  0.6852  0.4909  0.5850  1
  O  O177  1  0.6865  0.1755  0.5789  1
  O  O178  1  0.6921  0.5103  0.9154  1
  O  O179  1  0.6927  0.8223  0.9180  1
  O  O180  1  0.6975  0.1654  0.9626  1
  O  O181  1  0.7061  0.5083  0.2007  1
  O  O182  1  0.7075  0.8364  0.5338  1
  O  O183  1  0.7084  0.8300  0.6327  1
  O  O184  1  0.7090  0.4844  0.2976  1
  O  O185  1  0.7139  0.1697  0.8635  1
  O  O186  1  0.7791  0.9854  0.7993  1
  O  O187  1  0.7795  0.3267  0.1364  1
  O  O188  1  0.7797  0.6736  0.3631  1
  O  O189  1  0.7842  0.0080  0.7023  1
  O  O190  1  0.7935  0.3356  0.0381  1
  O  O191  1  0.8000  0.6668  0.4612  1
  O  O192  1  0.8039  0.9928  0.0830  1
  O  O193  1  0.8044  0.0043  0.4169  1
  O  O194  1  0.8101  0.3387  0.7465  1
  O  O195  1  0.8116  0.6597  0.7518  1
  O  O196  1  0.8147  0.3249  0.4198  1
  O  O197  1  0.8163  0.6764  0.0806  1
  O  O198  1  0.8754  0.0925  0.1973  1
  O  O199  1  0.8777  0.2254  0.6352  1
  O  O200  1  0.8800  0.8974  0.2979  1
  O  O201  1  0.8817  0.5765  0.2546  1
  O  O202  1  0.8832  0.4342  0.5340  1
  O  O203  1  0.8854  0.0909  0.9179  1
  O  O204  1  0.8865  0.7609  0.2545  1
  O  O205  1  0.8883  0.2410  0.9176  1
  O  O206  1  0.8885  0.5661  0.9662  1
  O  O207  1  0.8894  0.9082  0.5833  1
  O  O208  1  0.8896  0.7586  0.5826  1
  O  O209  1  0.8904  0.7681  0.8674  1
  O  O210  1  0.8941  0.4256  0.2430  1
  O  O211  1  0.8985  0.4424  0.6323  1
  O  O212  1  0.9020  0.7705  0.9663  1
  O  O213  1  0.9027  0.5613  0.8674  1
  O  O214  1  0.9039  0.2305  0.5372  1
  O  O215  1  0.9092  0.5666  0.5802  1
  O  O216  1  0.9097  0.8849  0.2006  1
  O  O217  1  0.9105  0.0993  0.5824  1
  O  O218  1  0.9163  0.4352  0.9185  1
  O  O219  1  0.9169  0.8978  0.9170  1
  O  O220  1  0.9198  0.2459  0.2443  1
  O  O221  1  0.9251  0.1087  0.3009  1
]