data_[Na30La12Y12Si15S21O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  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 [9.5192]
_cell_length_b [16.4792]
_cell_length_c [24.2117]
_cell_angle_alpha [89.5284]
_cell_angle_beta [89.9717]
_cell_angle_gamma [89.9673]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10La4Y4Si5S7O48]
_chemical_formula_sum '[Na30 La12 Y12 Si15 S21 O144]'
_cell_volume [3797.9482]
_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  0.0130  0.0030  0.5021  1
  Na  Na1  1  0.0253  0.3517  0.8383  1
  Na  Na2  1  0.0356  0.6783  0.1667  1
  Na  Na3  1  0.1462  0.1591  0.4301  1
  Na  Na4  1  0.1485  0.4923  0.7607  1
  Na  Na5  1  0.1703  0.8369  0.7433  1
  Na  Na6  1  0.1889  0.1763  0.7377  1
  Na  Na7  1  0.1905  0.5180  0.0886  1
  Na  Na8  1  0.2993  0.6764  0.2411  1
  Na  Na9  1  0.3067  0.0223  0.5883  1
  Na  Na10  1  0.3351  0.3372  0.2487  1
  Na  Na11  1  0.3518  0.3266  0.5976  1
  Na  Na12  1  0.3547  0.6608  0.9337  1
  Na  Na13  1  0.3681  0.9915  0.2636  1
  Na  Na14  1  0.4767  0.8581  0.3371  1
  Na  Na15  1  0.4838  0.1733  0.6733  1
  Na  Na16  1  0.4933  0.5104  0.0042  1
  Na  Na17  1  0.5320  0.1797  0.1681  1
  Na  Na18  1  0.5330  0.8563  0.8300  1
  Na  Na19  1  0.5369  0.5164  0.4980  1
  Na  Na20  1  0.6282  0.9880  0.7570  1
  Na  Na21  1  0.6463  0.6595  0.4319  1
  Na  Na22  1  0.6922  0.0227  0.0857  1
  Na  Na23  1  0.7975  0.1841  0.2385  1
  Na  Na24  1  0.8342  0.8320  0.2510  1
  Na  Na25  1  0.8565  0.1582  0.9308  1
  Na  Na26  1  0.8721  0.4936  0.2632  1
  Na  Na27  1  0.9428  0.6903  0.6606  1
  Na  Na28  1  0.9775  0.3629  0.3361  1
  Na  Na29  1  0.9887  0.0076  0.0002  1
  La  La30  1  0.0018  0.9890  0.3508  1
  La  La31  1  0.0019  0.3368  0.9859  1
  La  La32  1  0.4856  0.4924  0.8487  1
  La  La33  1  0.4888  0.8256  0.1787  1
  La  La34  1  0.4954  0.1628  0.8155  1
  La  La35  1  0.4998  0.1625  0.5159  1
  La  La36  1  0.5012  0.8356  0.9841  1
  La  La37  1  0.5078  0.5085  0.6458  1
  La  La38  1  0.5113  0.1693  0.0176  1
  La  La39  1  0.9833  0.6673  0.8179  1
  La  La40  1  0.9978  0.0019  0.1543  1
  La  La41  1  0.9995  0.9890  0.8479  1
  Y  Y42  1  0.0033  0.3300  0.6786  1
  Y  Y43  1  0.0046  0.9998  0.6478  1
  Y  Y44  1  0.0076  0.6619  0.0175  1
  Y  Y45  1  0.0086  0.6566  0.3210  1
  Y  Y46  1  0.4950  0.5023  0.1538  1
  Y  Y47  1  0.4981  0.8336  0.4826  1
  Y  Y48  1  0.5034  0.4909  0.3496  1
  Y  Y49  1  0.5074  0.1622  0.3196  1
  Y  Y50  1  0.5149  0.8231  0.6816  1
  Y  Y51  1  0.9860  0.6583  0.5177  1
  Y  Y52  1  0.9875  0.3323  0.1831  1
  Y  Y53  1  0.9927  0.3367  0.4812  1
  Si  Si54  1  0.1474  0.1828  0.5792  1
  Si  Si55  1  0.1494  0.8425  0.2502  1
  Si  Si56  1  0.1517  0.5165  0.9146  1
  Si  Si57  1  0.2005  0.4989  0.2485  1
  Si  Si58  1  0.3054  0.9964  0.7432  1
  Si  Si59  1  0.3379  0.3489  0.7409  1
  Si  Si60  1  0.3455  0.6726  0.0811  1
  Si  Si61  1  0.3462  0.0128  0.4170  1
  Si  Si62  1  0.6479  0.3506  0.2498  1
  Si  Si63  1  0.6510  0.6832  0.5763  1
  Si  Si64  1  0.6594  0.0136  0.9163  1
  Si  Si65  1  0.6892  0.0001  0.2477  1
  Si  Si66  1  0.8419  0.5155  0.4141  1
  Si  Si67  1  0.8501  0.1792  0.0833  1
  Si  Si68  1  0.8506  0.8494  0.7458  1
  S  S69  1  0.1439  0.4799  0.5824  1
  S  S70  1  0.1494  0.8127  0.9180  1
  S  S71  1  0.1567  0.1572  0.2534  1
  S  S72  1  0.1882  0.1679  0.9160  1
  S  S73  1  0.2046  0.8329  0.5842  1
  S  S74  1  0.3022  0.3369  0.0903  1
  S  S75  1  0.3024  0.6672  0.4173  1
  S  S76  1  0.3432  0.3167  0.4157  1
  S  S77  1  0.3456  0.6543  0.7517  1
  S  S78  1  0.3467  0.9886  0.0849  1
  S  S79  1  0.6484  0.9776  0.5847  1
  S  S80  1  0.6535  0.6453  0.2538  1
  S  S81  1  0.6578  0.3192  0.9148  1
  S  S82  1  0.6924  0.6635  0.9210  1
  S  S83  1  0.7029  0.3335  0.5831  1
  S  S84  1  0.8101  0.1722  0.4149  1
  S  S85  1  0.8117  0.4952  0.7490  1
  S  S86  1  0.8117  0.8302  0.0850  1
  S  S87  1  0.8453  0.8084  0.4172  1
  S  S88  1  0.8467  0.4876  0.0866  1
  S  S89  1  0.8562  0.1506  0.7470  1
  O  O90  1  0.0661  0.7552  0.2587  1
  O  O91  1  0.0776  0.8864  0.1961  1
  O  O92  1  0.0858  0.0892  0.5810  1
  O  O93  1  0.0878  0.4448  0.6351  1
  O  O94  1  0.0882  0.4241  0.9184  1
  O  O95  1  0.0899  0.1219  0.3032  1
  O  O96  1  0.0901  0.2392  0.9161  1
  O  O97  1  0.0917  0.5638  0.5764  1
  O  O98  1  0.0925  0.7636  0.9644  1
  O  O99  1  0.0928  0.2385  0.2427  1
  O  O100  1  0.0962  0.2315  0.5231  1
  O  O101  1  0.0962  0.8964  0.9219  1
  O  O102  1  0.0988  0.4283  0.5358  1
  O  O103  1  0.0988  0.4176  0.2442  1
  O  O104  1  0.0992  0.0938  0.9182  1
  O  O105  1  0.1002  0.5804  0.2564  1
  O  O106  1  0.1011  0.5724  0.9673  1
  O  O107  1  0.1045  0.5599  0.8554  1
  O  O108  1  0.1086  0.2368  0.6348  1
  O  O109  1  0.1094  0.7751  0.8645  1
  O  O110  1  0.1131  0.7617  0.5760  1
  O  O111  1  0.1183  0.9096  0.5852  1
  O  O112  1  0.1366  0.9067  0.3015  1
  O  O113  1  0.1385  0.1025  0.2057  1
  O  O114  1  0.1626  0.3436  0.7426  1
  O  O115  1  0.1712  0.6606  0.0804  1
  O  O116  1  0.1721  0.0150  0.4187  1
  O  O117  1  0.1860  0.3179  0.4188  1
  O  O118  1  0.1896  0.6582  0.7545  1
  O  O119  1  0.1934  0.9983  0.0841  1
  O  O120  1  0.2004  0.9866  0.7967  1
  O  O121  1  0.2067  0.6616  0.4652  1
  O  O122  1  0.2075  0.0125  0.6877  1
  O  O123  1  0.2105  0.3331  0.1402  1
  O  O124  1  0.2128  0.3459  0.0401  1
  O  O125  1  0.2193  0.6753  0.3650  1
  O  O126  1  0.2696  0.1714  0.8637  1
  O  O127  1  0.2828  0.1701  0.9643  1
  O  O128  1  0.2832  0.8254  0.6372  1
  O  O129  1  0.2906  0.5161  0.1912  1
  O  O130  1  0.3002  0.4796  0.5832  1
  O  O131  1  0.3053  0.8434  0.5375  1
  O  O132  1  0.3059  0.8118  0.9199  1
  O  O133  1  0.3107  0.1702  0.2610  1
  O  O134  1  0.3133  0.4849  0.2987  1
  O  O135  1  0.3199  0.8245  0.2455  1
  O  O136  1  0.3243  0.1786  0.5823  1
  O  O137  1  0.3271  0.5179  0.9177  1
  O  O138  1  0.3716  0.4107  0.7930  1
  O  O139  1  0.3819  0.7198  0.1393  1
  O  O140  1  0.3823  0.6012  0.7047  1
  O  O141  1  0.3824  0.2661  0.3671  1
  O  O142  1  0.3877  0.0679  0.4720  1
  O  O143  1  0.3902  0.2632  0.0875  1
  O  O144  1  0.3906  0.4111  0.0920  1
  O  O145  1  0.3913  0.9391  0.0372  1
  O  O146  1  0.3943  0.3914  0.6834  1
  O  O147  1  0.3956  0.7403  0.4212  1
  O  O148  1  0.3961  0.5947  0.4143  1
  O  O149  1  0.3963  0.9492  0.1370  1
  O  O150  1  0.3977  0.3998  0.4103  1
  O  O151  1  0.3981  0.2558  0.7480  1
  O  O152  1  0.3982  0.7383  0.7439  1
  O  O153  1  0.3993  0.7223  0.0256  1
  O  O154  1  0.4013  0.2797  0.4671  1
  O  O155  1  0.4017  0.9136  0.7397  1
  O  O156  1  0.4021  0.0619  0.3611  1
  O  O157  1  0.4061  0.6201  0.8033  1
  O  O158  1  0.4105  0.0766  0.7478  1
  O  O159  1  0.4144  0.5806  0.0819  1
  O  O160  1  0.4170  0.0693  0.0824  1
  O  O161  1  0.4172  0.9222  0.4202  1
  O  O162  1  0.5736  0.3952  0.1968  1
  O  O163  1  0.5741  0.2601  0.2575  1
  O  O164  1  0.5769  0.0587  0.5822  1
  O  O165  1  0.5796  0.5911  0.5780  1
  O  O166  1  0.5885  0.0816  0.2558  1
  O  O167  1  0.5895  0.9179  0.2466  1
  O  O168  1  0.5908  0.9219  0.9176  1
  O  O169  1  0.5910  0.6076  0.3037  1
  O  O170  1  0.5928  0.7283  0.2476  1
  O  O171  1  0.5929  0.7336  0.9213  1
  O  O172  1  0.5935  0.9375  0.6355  1
  O  O173  1  0.5982  0.7287  0.5193  1
  O  O174  1  0.6019  0.7328  0.6311  1
  O  O175  1  0.6023  0.2801  0.9656  1
  O  O176  1  0.6060  0.5883  0.9216  1
  O  O177  1  0.6069  0.4039  0.9135  1
  O  O178  1  0.6069  0.4051  0.5813  1
  O  O179  1  0.6090  0.0596  0.8584  1
  O  O180  1  0.6097  0.0698  0.9701  1
  O  O181  1  0.6105  0.9298  0.5352  1
  O  O182  1  0.6119  0.2737  0.8655  1
  O  O183  1  0.6128  0.2594  0.5840  1
  O  O184  1  0.6237  0.5951  0.2045  1
  O  O185  1  0.6294  0.4095  0.3035  1
  O  O186  1  0.6677  0.5163  0.4147  1
  O  O187  1  0.6756  0.1675  0.0871  1
  O  O188  1  0.6791  0.8410  0.7414  1
  O  O189  1  0.6880  0.8100  0.4199  1
  O  O190  1  0.6947  0.4988  0.0933  1
  O  O191  1  0.7006  0.1565  0.7484  1
  O  O192  1  0.7072  0.8382  0.0396  1
  O  O193  1  0.7189  0.1680  0.4642  1
  O  O194  1  0.7213  0.5031  0.6996  1
  O  O195  1  0.7223  0.1770  0.3640  1
  O  O196  1  0.7266  0.4935  0.8000  1
  O  O197  1  0.7363  0.8228  0.1389  1
  O  O198  1  0.7724  0.6693  0.8684  1
  O  O199  1  0.7754  0.0162  0.1894  1
  O  O200  1  0.7889  0.6655  0.9686  1
  O  O201  1  0.7904  0.3348  0.6337  1
  O  O202  1  0.7936  0.3351  0.5335  1
  O  O203  1  0.8021  0.9894  0.5869  1
  O  O204  1  0.8051  0.9880  0.2972  1
  O  O205  1  0.8089  0.6538  0.2585  1
  O  O206  1  0.8144  0.3178  0.9158  1
  O  O207  1  0.8198  0.3361  0.2434  1
  O  O208  1  0.8241  0.6743  0.5778  1
  O  O209  1  0.8327  0.0155  0.9196  1
  O  O210  1  0.8720  0.9008  0.8030  1
  O  O211  1  0.8750  0.4388  0.0367  1
  O  O212  1  0.8837  0.7668  0.3645  1
  O  O213  1  0.8863  0.5791  0.4635  1
  O  O214  1  0.8924  0.2268  0.0252  1
  O  O215  1  0.8959  0.0965  0.7008  1
  O  O216  1  0.8964  0.9060  0.0837  1
  O  O217  1  0.8989  0.8925  0.4185  1
  O  O218  1  0.8998  0.5526  0.3546  1
  O  O219  1  0.9003  0.4203  0.7460  1
  O  O220  1  0.9010  0.2288  0.1389  1
  O  O221  1  0.9013  0.7582  0.0769  1
  O  O222  1  0.9021  0.2456  0.4166  1
  O  O223  1  0.9035  0.1000  0.4141  1
  O  O224  1  0.9044  0.7634  0.4648  1
  O  O225  1  0.9115  0.4249  0.4223  1
  O  O226  1  0.9117  0.4462  0.1357  1
  O  O227  1  0.9117  0.5657  0.7489  1
  O  O228  1  0.9130  0.1186  0.8000  1
  O  O229  1  0.9141  0.0858  0.0812  1
  O  O230  1  0.9180  0.5680  0.0813  1
  O  O231  1  0.9186  0.2325  0.7383  1
  O  O232  1  0.9214  0.9016  0.6953  1
  O  O233  1  0.9367  0.7619  0.7482  1
]