data_[Na42La12Y12Si21S15O144]
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 [9.6480]
_cell_length_b [16.6684]
_cell_length_c [23.7475]
_cell_angle_alpha [89.7409]
_cell_angle_beta [89.9747]
_cell_angle_gamma [89.9220]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14La4Y4Si7S5O48]
_chemical_formula_sum '[Na42 La12 Y12 Si21 S15 O144]'
_cell_volume [3818.9527]
_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  0.0009  0.3199  0.8352  1
  Na  Na1  1  0.0069  0.3198  0.3294  1
  Na  Na2  1  0.0106  0.9862  0.0030  1
  Na  Na3  1  0.0182  0.6674  0.6745  1
  Na  Na4  1  0.1222  0.8382  0.0764  1
  Na  Na5  1  0.1267  0.1735  0.4014  1
  Na  Na6  1  0.1557  0.5030  0.7477  1
  Na  Na7  1  0.1709  0.8386  0.4052  1
  Na  Na8  1  0.1773  0.1884  0.7649  1
  Na  Na9  1  0.1888  0.1368  0.0871  1
  Na  Na10  1  0.2031  0.4857  0.4221  1
  Na  Na11  1  0.2977  0.9822  0.9289  1
  Na  Na12  1  0.3084  0.6404  0.5844  1
  Na  Na13  1  0.3237  0.6925  0.2584  1
  Na  Na14  1  0.3302  0.3385  0.9107  1
  Na  Na15  1  0.3424  0.9993  0.2395  1
  Na  Na16  1  0.3586  0.3404  0.5769  1
  Na  Na17  1  0.3713  0.6785  0.9075  1
  Na  Na18  1  0.4748  0.4990  0.4935  1
  Na  Na19  1  0.4807  0.1634  0.1717  1
  Na  Na20  1  0.4899  0.8197  0.8364  1
  Na  Na21  1  0.4961  0.8207  0.3273  1
  Na  Na22  1  0.5140  0.1570  0.6726  1
  Na  Na23  1  0.5243  0.5010  0.9962  1
  Na  Na24  1  0.6232  0.6742  0.4016  1
  Na  Na25  1  0.6424  0.3403  0.0798  1
  Na  Na26  1  0.6561  1.0000  0.7475  1
  Na  Na27  1  0.6717  0.3386  0.4038  1
  Na  Na28  1  0.6747  0.6918  0.7664  1
  Na  Na29  1  0.6756  0.3077  0.7551  1
  Na  Na30  1  0.6971  0.6528  0.0861  1
  Na  Na31  1  0.7052  0.9845  0.4226  1
  Na  Na32  1  0.7964  0.4888  0.9275  1
  Na  Na33  1  0.8098  0.1403  0.5838  1
  Na  Na34  1  0.8229  0.8080  0.2401  1
  Na  Na35  1  0.8256  0.1892  0.2614  1
  Na  Na36  1  0.8260  0.8392  0.9220  1
  Na  Na37  1  0.8445  0.5025  0.2429  1
  Na  Na38  1  0.8587  0.8407  0.5798  1
  Na  Na39  1  0.8773  0.1719  0.9058  1
  Na  Na40  1  0.9768  0.9972  0.4938  1
  Na  Na41  1  0.9789  0.6677  0.1630  1
  La  La42  1  0.0023  0.9921  0.1496  1
  La  La43  1  0.0026  0.3370  0.1856  1
  La  La44  1  0.0067  0.6815  0.8187  1
  La  La45  1  0.0068  0.6614  0.5123  1
  La  La46  1  0.4895  0.4971  0.6525  1
  La  La47  1  0.4917  0.1808  0.3166  1
  La  La48  1  0.4929  0.1599  0.0130  1
  La  La49  1  0.4985  0.8372  0.6863  1
  La  La50  1  0.5053  0.1638  0.5124  1
  La  La51  1  0.5106  0.4987  0.1531  1
  La  La52  1  0.9886  0.6688  0.0153  1
  La  La53  1  0.9894  0.9972  0.6542  1
  Y  Y54  1  0.0001  0.9987  0.8473  1
  Y  Y55  1  0.0002  0.6755  0.3191  1
  Y  Y56  1  0.0013  0.9979  0.3467  1
  Y  Y57  1  0.0052  0.3375  0.4826  1
  Y  Y58  1  0.0073  0.3370  0.6856  1
  Y  Y59  1  0.4976  0.4989  0.8479  1
  Y  Y60  1  0.4997  0.1745  0.8200  1
  Y  Y61  1  0.5004  0.4990  0.3466  1
  Y  Y62  1  0.5036  0.8367  0.1813  1
  Y  Y63  1  0.5052  0.8377  0.9863  1
  Y  Y64  1  0.5074  0.8356  0.4816  1
  Y  Y65  1  0.9928  0.3357  0.9819  1
  Si  Si66  1  0.1491  0.4852  0.5842  1
  Si  Si67  1  0.1496  0.1490  0.2492  1
  Si  Si68  1  0.1578  0.8458  0.2534  1
  Si  Si69  1  0.1602  0.8242  0.9220  1
  Si  Si70  1  0.1896  0.1667  0.9152  1
  Si  Si71  1  0.3105  0.6656  0.4172  1
  Si  Si72  1  0.3457  0.3237  0.4247  1
  Si  Si73  1  0.3468  0.3449  0.7509  1
  Si  Si74  1  0.3473  0.6502  0.7489  1
  Si  Si75  1  0.3523  0.9862  0.0845  1
  Si  Si76  1  0.6522  0.9868  0.5827  1
  Si  Si77  1  0.6539  0.3199  0.9179  1
  Si  Si78  1  0.6550  0.6538  0.2518  1
  Si  Si79  1  0.6578  0.3471  0.2507  1
  Si  Si80  1  0.6845  0.6654  0.9144  1
  Si  Si81  1  0.8018  0.8331  0.0825  1
  Si  Si82  1  0.8133  0.1661  0.4167  1
  Si  Si83  1  0.8438  0.1537  0.7494  1
  Si  Si84  1  0.8441  0.8469  0.7488  1
  Si  Si85  1  0.8451  0.4850  0.0826  1
  Si  Si86  1  0.8477  0.8200  0.4197  1
  S  S87  1  0.1456  0.1888  0.5841  1
  S  S88  1  0.1549  0.5111  0.9147  1
  S  S89  1  0.1961  0.5045  0.2553  1
  S  S90  1  0.1983  0.8333  0.5789  1
  S  S91  1  0.3021  0.3334  0.0787  1
  S  S92  1  0.3038  0.0057  0.7542  1
  S  S93  1  0.3435  0.0112  0.4150  1
  S  S94  1  0.3546  0.6875  0.0837  1
  S  S95  1  0.6470  0.6848  0.5814  1
  S  S96  1  0.6536  0.0137  0.9115  1
  S  S97  1  0.6956  0.9974  0.2532  1
  S  S98  1  0.7063  0.3321  0.5833  1
  S  S99  1  0.8032  0.4966  0.7512  1
  S  S100  1  0.8451  0.5131  0.4132  1
  S  S101  1  0.8522  0.1864  0.0813  1
  O  O102  1  0.0735  0.2380  0.2511  1
  O  O103  1  0.0800  0.9113  0.9121  1
  O  O104  1  0.0824  0.1080  0.5854  1
  O  O105  1  0.0837  0.8863  0.1981  1
  O  O106  1  0.0852  0.0892  0.9098  1
  O  O107  1  0.0883  0.1024  0.3058  1
  O  O108  1  0.0914  0.7545  0.2569  1
  O  O109  1  0.0917  0.7859  0.9796  1
  O  O110  1  0.0917  0.5787  0.5861  1
  O  O111  1  0.0919  0.2309  0.5330  1
  O  O112  1  0.0936  0.4297  0.9228  1
  O  O113  1  0.0939  0.5451  0.8622  1
  O  O114  1  0.0977  0.2509  0.9193  1
  O  O115  1  0.1005  0.4368  0.6415  1
  O  O116  1  0.1013  0.4351  0.5279  1
  O  O117  1  0.1047  0.4328  0.2536  1
  O  O118  1  0.1050  0.2351  0.6351  1
  O  O119  1  0.1072  0.9056  0.5792  1
  O  O120  1  0.1075  0.5772  0.2590  1
  O  O121  1  0.1086  0.1014  0.1910  1
  O  O122  1  0.1091  0.7599  0.5797  1
  O  O123  1  0.1219  0.8999  0.3096  1
  O  O124  1  0.1270  0.5638  0.9632  1
  O  O125  1  0.1393  0.7584  0.8712  1
  O  O126  1  0.1749  0.3371  0.7478  1
  O  O127  1  0.1764  0.3396  0.4243  1
  O  O128  1  0.1764  0.6479  0.7506  1
  O  O129  1  0.1798  0.9929  0.0808  1
  O  O130  1  0.1895  0.0029  0.4106  1
  O  O131  1  0.2017  0.6760  0.3643  1
  O  O132  1  0.2018  0.6812  0.0823  1
  O  O133  1  0.2135  0.3287  0.1294  1
  O  O134  1  0.2140  0.9998  0.8046  1
  O  O135  1  0.2141  0.3348  0.0270  1
  O  O136  1  0.2184  0.0127  0.7024  1
  O  O137  1  0.2198  0.6493  0.4753  1
  O  O138  1  0.2831  0.5117  0.2044  1
  O  O139  1  0.2848  0.1511  0.9719  1
  O  O140  1  0.2851  0.4972  0.3065  1
  O  O141  1  0.2862  0.8289  0.6298  1
  O  O142  1  0.2865  0.8349  0.5274  1
  O  O143  1  0.2950  0.1785  0.8609  1
  O  O144  1  0.2996  0.1852  0.5829  1
  O  O145  1  0.3083  0.5010  0.9103  1
  O  O146  1  0.3211  0.1478  0.2505  1
  O  O147  1  0.3236  0.4883  0.5802  1
  O  O148  1  0.3289  0.8391  0.2489  1
  O  O149  1  0.3292  0.8390  0.9234  1
  O  O150  1  0.3685  0.2559  0.3759  1
  O  O151  1  0.3694  0.0627  0.4650  1
  O  O152  1  0.3820  0.4023  0.8049  1
  O  O153  1  0.3846  0.6029  0.6892  1
  O  O154  1  0.3920  0.2602  0.0795  1
  O  O155  1  0.3921  0.4056  0.0792  1
  O  O156  1  0.3925  0.0789  0.7572  1
  O  O157  1  0.3927  0.7335  0.1353  1
  O  O158  1  0.3959  0.9344  0.7529  1
  O  O159  1  0.3990  0.9379  0.0272  1
  O  O160  1  0.4002  0.9386  0.1422  1
  O  O161  1  0.4032  0.9296  0.4233  1
  O  O162  1  0.4036  0.7491  0.4204  1
  O  O163  1  0.4069  0.0466  0.3644  1
  O  O164  1  0.4070  0.7301  0.0327  1
  O  O165  1  0.4088  0.2870  0.4842  1
  O  O166  1  0.4119  0.0800  0.0872  1
  O  O167  1  0.4121  0.5999  0.8027  1
  O  O168  1  0.4137  0.5865  0.4119  1
  O  O169  1  0.4140  0.2541  0.7553  1
  O  O170  1  0.4152  0.3835  0.6932  1
  O  O171  1  0.4220  0.6073  0.0849  1
  O  O172  1  0.4240  0.4107  0.4138  1
  O  O173  1  0.4247  0.7382  0.7503  1
  O  O174  1  0.5816  0.5856  0.9119  1
  O  O175  1  0.5820  0.6041  0.5815  1
  O  O176  1  0.5821  0.4095  0.9120  1
  O  O177  1  0.5850  0.7441  0.2483  1
  O  O178  1  0.5856  0.6077  0.3068  1
  O  O179  1  0.5879  0.2775  0.9746  1
  O  O180  1  0.5886  0.9336  0.9178  1
  O  O181  1  0.5893  0.7477  0.9199  1
  O  O182  1  0.5902  0.7288  0.5315  1
  O  O183  1  0.5912  0.0800  0.5835  1
  O  O184  1  0.5922  0.0536  0.8610  1
  O  O185  1  0.5988  0.0660  0.2580  1
  O  O186  1  0.6007  0.3903  0.1929  1
  O  O187  1  0.6030  0.9425  0.6413  1
  O  O188  1  0.6059  0.9333  0.5273  1
  O  O189  1  0.6059  0.3973  0.3067  1
  O  O190  1  0.6076  0.2526  0.2484  1
  O  O191  1  0.6116  0.7295  0.6334  1
  O  O192  1  0.6127  0.4030  0.5828  1
  O  O193  1  0.6139  0.9212  0.2490  1
  O  O194  1  0.6208  0.2573  0.5843  1
  O  O195  1  0.6234  0.2623  0.8627  1
  O  O196  1  0.6235  0.6000  0.1948  1
  O  O197  1  0.6307  0.0643  0.9618  1
  O  O198  1  0.6711  0.4888  0.0789  1
  O  O199  1  0.6717  0.8469  0.7526  1
  O  O200  1  0.6724  0.1568  0.7550  1
  O  O201  1  0.6765  0.8312  0.4211  1
  O  O202  1  0.6923  0.5041  0.4072  1
  O  O203  1  0.6985  0.1824  0.0783  1
  O  O204  1  0.7032  0.8287  0.1394  1
  O  O205  1  0.7085  0.8320  0.0246  1
  O  O206  1  0.7121  0.1797  0.3618  1
  O  O207  1  0.7130  0.4881  0.8023  1
  O  O208  1  0.7152  0.1513  0.4732  1
  O  O209  1  0.7157  0.5084  0.7007  1
  O  O210  1  0.7814  0.6761  0.8577  1
  O  O211  1  0.7836  0.0100  0.2034  1
  O  O212  1  0.7838  0.9896  0.3047  1
  O  O213  1  0.7871  0.6477  0.9686  1
  O  O214  1  0.7935  0.3341  0.5316  1
  O  O215  1  0.7957  0.3303  0.6344  1
  O  O216  1  0.8003  0.6802  0.5782  1
  O  O217  1  0.8060  0.0039  0.9059  1
  O  O218  1  0.8252  0.3297  0.9198  1
  O  O219  1  0.8263  0.6580  0.2560  1
  O  O220  1  0.8264  0.9921  0.5790  1
  O  O221  1  0.8301  0.3479  0.2539  1
  O  O222  1  0.8680  0.5629  0.4639  1
  O  O223  1  0.8741  0.1023  0.6911  1
  O  O224  1  0.8794  0.7591  0.3669  1
  O  O225  1  0.8838  0.4203  0.7469  1
  O  O226  1  0.8865  0.2319  0.1333  1
  O  O227  1  0.8908  0.4308  0.0273  1
  O  O228  1  0.8937  0.4395  0.1411  1
  O  O229  1  0.8956  0.7526  0.7484  1
  O  O230  1  0.8963  0.9026  0.8016  1
  O  O231  1  0.8980  0.8866  0.6889  1
  O  O232  1  0.8992  0.7503  0.0862  1
  O  O233  1  0.8997  0.5648  0.7563  1
  O  O234  1  0.9055  0.5767  0.0835  1
  O  O235  1  0.9063  0.4317  0.4203  1
  O  O236  1  0.9073  0.9104  0.0796  1
  O  O237  1  0.9076  0.2459  0.7455  1
  O  O238  1  0.9080  0.2303  0.0313  1
  O  O239  1  0.9092  0.2484  0.4223  1
  O  O240  1  0.9096  0.5516  0.3633  1
  O  O241  1  0.9111  0.7801  0.4779  1
  O  O242  1  0.9138  0.0857  0.4127  1
  O  O243  1  0.9175  0.1064  0.0818  1
  O  O244  1  0.9189  0.1085  0.8032  1
  O  O245  1  0.9192  0.9096  0.4126  1
]