data_[Na30Sc12Zn12Si9S27O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  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 [8.9796]
_cell_length_b [15.6776]
_cell_length_c [22.7029]
_cell_angle_alpha [90.4762]
_cell_angle_beta [90.0025]
_cell_angle_gamma [90.1535]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Sc4Zn4Si3(S3O16)3]
_chemical_formula_sum '[Na30 Sc12 Zn12 Si9 S27 O144]'
_cell_volume [3195.9448]
_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  0.0151  0.0054  0.0030  1
  Na  Na1  1  0.1387  0.8263  0.4136  1
  Na  Na2  1  0.1389  0.4931  0.7433  1
  Na  Na3  1  0.1806  0.1899  0.7549  1
  Na  Na4  1  0.1824  0.5232  0.4243  1
  Na  Na5  1  0.3157  0.3571  0.5888  1
  Na  Na6  1  0.3191  0.6905  0.2564  1
  Na  Na7  1  0.3236  0.6533  0.9196  1
  Na  Na8  1  0.3250  0.3221  0.2535  1
  Na  Na9  1  0.3571  0.6596  0.5786  1
  Na  Na10  1  0.3577  0.9925  0.2486  1
  Na  Na11  1  0.3595  0.3281  0.9117  1
  Na  Na12  1  0.4868  0.1711  0.8362  1
  Na  Na13  1  0.4872  0.8343  0.1663  1
  Na  Na14  1  0.5014  0.5090  0.5036  1
  Na  Na15  1  0.5077  0.8388  0.6689  1
  Na  Na16  1  0.5106  0.1669  0.3414  1
  Na  Na17  1  0.5154  0.5056  0.0036  1
  Na  Na18  1  0.6423  0.3263  0.4130  1
  Na  Na19  1  0.6446  0.9914  0.7469  1
  Na  Na20  1  0.6841  0.6906  0.7548  1
  Na  Na21  1  0.8185  0.1911  0.2575  1
  Na  Na22  1  0.8231  0.8198  0.2542  1
  Na  Na23  1  0.8241  0.1533  0.9194  1
  Na  Na24  1  0.8600  0.8278  0.9112  1
  Na  Na25  1  0.9814  0.3424  0.1687  1
  Na  Na26  1  0.9861  0.6722  0.8347  1
  Na  Na27  1  0.9897  0.0108  0.5022  1
  Na  Na28  1  0.9963  0.3392  0.6669  1
  Na  Na29  1  0.9991  0.6668  0.3386  1
  Sc  Sc30  1  0.0006  0.6690  0.6820  1
  Sc  Sc31  1  0.0013  0.3269  0.0180  1
  Sc  Sc32  1  0.0019  0.6675  0.1833  1
  Sc  Sc33  1  0.0084  0.9967  0.8500  1
  Sc  Sc34  1  0.4999  0.1730  0.6848  1
  Sc  Sc35  1  0.5012  0.8265  0.0179  1
  Sc  Sc36  1  0.5025  0.8298  0.5158  1
  Sc  Sc37  1  0.5042  0.5011  0.3507  1
  Sc  Sc38  1  0.5043  0.1737  0.1821  1
  Sc  Sc39  1  0.5087  0.4971  0.8505  1
  Sc  Sc40  1  0.9965  0.3285  0.5191  1
  Sc  Sc41  1  0.9966  0.0014  0.3543  1
  Zn  Zn42  1  0.0125  0.9934  0.1496  1
  Zn  Zn43  1  0.0152  0.6631  0.4866  1
  Zn  Zn44  1  0.0190  0.3299  0.8184  1
  Zn  Zn45  1  0.4781  0.1623  0.9844  1
  Zn  Zn46  1  0.4781  0.8309  0.3218  1
  Zn  Zn47  1  0.4844  0.4948  0.6501  1
  Zn  Zn48  1  0.5147  0.4951  0.1504  1
  Zn  Zn49  1  0.5182  0.1594  0.4825  1
  Zn  Zn50  1  0.5205  0.8295  0.8184  1
  Zn  Zn51  1  0.9668  0.3331  0.3200  1
  Zn  Zn52  1  0.9782  0.6622  0.9846  1
  Zn  Zn53  1  0.9897  0.9917  0.6509  1
  Si  Si54  1  0.1479  0.5172  0.5834  1
  Si  Si55  1  0.1489  0.8538  0.2500  1
  Si  Si56  1  0.1505  0.1831  0.9155  1
  Si  Si57  1  0.3499  0.6833  0.4161  1
  Si  Si58  1  0.3511  0.3521  0.7501  1
  Si  Si59  1  0.6510  0.6829  0.9157  1
  Si  Si60  1  0.6515  0.3552  0.2490  1
  Si  Si61  1  0.8501  0.1834  0.4163  1
  Si  Si62  1  0.8524  0.8520  0.7501  1
  S  S63  1  0.1441  0.4814  0.9165  1
  S  S64  1  0.1469  0.8178  0.5817  1
  S  S65  1  0.1470  0.1457  0.2480  1
  S  S66  1  0.2065  0.4995  0.2487  1
  S  S67  1  0.2082  0.1626  0.5825  1
  S  S68  1  0.2113  0.8337  0.9163  1
  S  S69  1  0.2915  0.3322  0.4151  1
  S  S70  1  0.2940  0.9987  0.7476  1
  S  S71  1  0.2948  0.6643  0.0824  1
  S  S72  1  0.3520  0.0188  0.0841  1
  S  S73  1  0.3527  0.6482  0.7500  1
  S  S74  1  0.3528  0.3168  0.0823  1
  S  S75  1  0.3559  0.9819  0.4163  1
  S  S76  1  0.6441  0.9816  0.9166  1
  S  S77  1  0.6464  0.3133  0.5819  1
  S  S78  1  0.6477  0.6465  0.2478  1
  S  S79  1  0.6485  0.0193  0.5841  1
  S  S80  1  0.7070  0.6672  0.5824  1
  S  S81  1  0.7077  0.0001  0.2480  1
  S  S82  1  0.7112  0.3336  0.9163  1
  S  S83  1  0.7921  0.4987  0.7480  1
  S  S84  1  0.7926  0.8324  0.4150  1
  S  S85  1  0.7960  0.1643  0.0820  1
  S  S86  1  0.8519  0.5190  0.0830  1
  S  S87  1  0.8534  0.8160  0.0830  1
  S  S88  1  0.8535  0.1465  0.7491  1
  S  S89  1  0.8543  0.4810  0.4168  1
  O  O90  1  0.0628  0.0906  0.9114  1
  O  O91  1  0.0672  0.2332  0.9712  1
  O  O92  1  0.0681  0.8936  0.3094  1
  O  O93  1  0.0714  0.7563  0.2418  1
  O  O94  1  0.0736  0.1087  0.1959  1
  O  O95  1  0.0795  0.4459  0.8620  1
  O  O96  1  0.0802  0.5647  0.6430  1
  O  O97  1  0.0802  0.4195  0.5783  1
  O  O98  1  0.0841  0.7797  0.5273  1
  O  O99  1  0.0855  0.9038  0.5889  1
  O  O100  1  0.0895  0.5701  0.9241  1
  O  O101  1  0.0924  0.2344  0.2552  1
  O  O102  1  0.1087  0.9089  0.9131  1
  O  O103  1  0.1105  0.0882  0.5896  1
  O  O104  1  0.1108  0.5778  0.2433  1
  O  O105  1  0.1143  0.4259  0.9679  1
  O  O106  1  0.1163  0.4214  0.2567  1
  O  O107  1  0.1177  0.7551  0.9225  1
  O  O108  1  0.1190  0.7612  0.6333  1
  O  O109  1  0.1192  0.2439  0.5789  1
  O  O110  1  0.1218  0.0922  0.3008  1
  O  O111  1  0.1244  0.9161  0.1950  1
  O  O112  1  0.1257  0.5755  0.5251  1
  O  O113  1  0.1285  0.2400  0.8565  1
  O  O114  1  0.1661  0.6765  0.4201  1
  O  O115  1  0.1671  0.3431  0.7530  1
  O  O116  1  0.1867  0.3228  0.0780  1
  O  O117  1  0.1868  0.6516  0.7452  1
  O  O118  1  0.1876  0.0121  0.0873  1
  O  O119  1  0.1889  0.9834  0.4117  1
  O  O120  1  0.1976  0.3473  0.4682  1
  O  O121  1  0.1987  0.6757  0.1361  1
  O  O122  1  0.2006  0.0169  0.8011  1
  O  O123  1  0.2020  0.3240  0.3607  1
  O  O124  1  0.2020  0.6552  0.0286  1
  O  O125  1  0.2032  0.9894  0.6951  1
  O  O126  1  0.2987  0.5169  0.3030  1
  O  O127  1  0.3006  0.4881  0.1966  1
  O  O128  1  0.3019  0.1770  0.6373  1
  O  O129  1  0.3033  0.8472  0.9701  1
  O  O130  1  0.3033  0.8229  0.8634  1
  O  O131  1  0.3045  0.1534  0.5305  1
  O  O132  1  0.3122  0.4866  0.9123  1
  O  O133  1  0.3147  0.1502  0.2417  1
  O  O134  1  0.3151  0.8216  0.5780  1
  O  O135  1  0.3320  0.8427  0.2536  1
  O  O136  1  0.3321  0.1801  0.9228  1
  O  O137  1  0.3331  0.5107  0.5863  1
  O  O138  1  0.3730  0.7399  0.3572  1
  O  O139  1  0.3760  0.4091  0.6921  1
  O  O140  1  0.3806  0.2634  0.1362  1
  O  O141  1  0.3810  0.5939  0.8031  1
  O  O142  1  0.3863  0.7448  0.0797  1
  O  O143  1  0.3867  0.0710  0.0321  1
  O  O144  1  0.3868  0.9249  0.4669  1
  O  O145  1  0.3887  0.4117  0.4121  1
  O  O146  1  0.3893  0.2575  0.4216  1
  O  O147  1  0.3906  0.5890  0.0889  1
  O  O148  1  0.3907  0.9236  0.7561  1
  O  O149  1  0.3943  0.0770  0.7436  1
  O  O150  1  0.4142  0.0595  0.1389  1
  O  O151  1  0.4148  0.0683  0.4240  1
  O  O152  1  0.4158  0.7345  0.7566  1
  O  O153  1  0.4175  0.4026  0.0878  1
  O  O154  1  0.4176  0.2747  0.0297  1
  O  O155  1  0.4203  0.9465  0.3607  1
  O  O156  1  0.4207  0.5863  0.4112  1
  O  O157  1  0.4208  0.2536  0.7443  1
  O  O158  1  0.4210  0.7314  0.4750  1
  O  O159  1  0.4213  0.3957  0.8103  1
  O  O160  1  0.4220  0.9329  0.0788  1
  O  O161  1  0.4227  0.6100  0.6970  1
  O  O162  1  0.5629  0.5904  0.9115  1
  O  O163  1  0.5671  0.7327  0.9715  1
  O  O164  1  0.5697  0.2562  0.2428  1
  O  O165  1  0.5701  0.3937  0.3092  1
  O  O166  1  0.5749  0.6088  0.1959  1
  O  O167  1  0.5771  0.2744  0.5289  1
  O  O168  1  0.5778  0.9330  0.5783  1
  O  O169  1  0.5794  0.9462  0.8620  1
  O  O170  1  0.5798  0.3991  0.5883  1
  O  O171  1  0.5856  0.0592  0.6390  1
  O  O172  1  0.5882  0.7351  0.2543  1
  O  O173  1  0.5890  0.0702  0.9242  1
  O  O174  1  0.6061  0.0763  0.2428  1
  O  O175  1  0.6070  0.7453  0.5792  1
  O  O176  1  0.6079  0.5918  0.5884  1
  O  O177  1  0.6082  0.4086  0.9130  1
  O  O178  1  0.6119  0.4100  0.1926  1
  O  O179  1  0.6138  0.9260  0.9680  1
  O  O180  1  0.6139  0.9224  0.2558  1
  O  O181  1  0.6142  0.0713  0.5323  1
  O  O182  1  0.6145  0.2596  0.6346  1
  O  O183  1  0.6175  0.2549  0.9224  1
  O  O184  1  0.6196  0.5952  0.3013  1
  O  O185  1  0.6284  0.7398  0.8569  1
  O  O186  1  0.6669  0.1799  0.4223  1
  O  O187  1  0.6673  0.8434  0.7531  1
  O  O188  1  0.6867  0.1487  0.7429  1
  O  O189  1  0.6871  0.8228  0.0785  1
  O  O190  1  0.6879  0.5121  0.0873  1
  O  O191  1  0.6881  0.4840  0.4104  1
  O  O192  1  0.6948  0.8455  0.4669  1
  O  O193  1  0.6982  0.5146  0.8017  1
  O  O194  1  0.7001  0.1756  0.1359  1
  O  O195  1  0.7002  0.4895  0.6954  1
  O  O196  1  0.7022  0.1548  0.0286  1
  O  O197  1  0.7045  0.8241  0.3598  1
  O  O198  1  0.7962  0.6801  0.6374  1
  O  O199  1  0.7989  0.9879  0.1952  1
  O  O200  1  0.8003  0.6586  0.5302  1
  O  O201  1  0.8005  0.0176  0.3009  1
  O  O202  1  0.8029  0.3472  0.9700  1
  O  O203  1  0.8031  0.3227  0.8634  1
  O  O204  1  0.8106  0.3201  0.5784  1
  O  O205  1  0.8120  0.9868  0.9126  1
  O  O206  1  0.8128  0.0122  0.5877  1
  O  O207  1  0.8137  0.6550  0.2422  1
  O  O208  1  0.8306  0.3379  0.2517  1
  O  O209  1  0.8324  0.6801  0.9229  1
  O  O210  1  0.8689  0.2387  0.3558  1
  O  O211  1  0.8735  0.9167  0.6960  1
  O  O212  1  0.8779  0.0941  0.8036  1
  O  O213  1  0.8808  0.4266  0.4687  1
  O  O214  1  0.8819  0.7629  0.1366  1
  O  O215  1  0.8841  0.5696  0.0299  1
  O  O216  1  0.8869  0.2446  0.0793  1
  O  O217  1  0.8877  0.7563  0.4217  1
  O  O218  1  0.8892  0.5779  0.7453  1
  O  O219  1  0.8897  0.4238  0.7559  1
  O  O220  1  0.8913  0.0887  0.0887  1
  O  O221  1  0.8922  0.9096  0.4130  1
  O  O222  1  0.9133  0.2337  0.7561  1
  O  O223  1  0.9153  0.5679  0.4230  1
  O  O224  1  0.9167  0.5618  0.1361  1
  O  O225  1  0.9175  0.7749  0.0299  1
  O  O226  1  0.9184  0.9021  0.0885  1
  O  O227  1  0.9206  0.8957  0.8114  1
  O  O228  1  0.9209  0.7543  0.7442  1
  O  O229  1  0.9220  0.4331  0.0783  1
  O  O230  1  0.9242  0.2342  0.4724  1
  O  O231  1  0.9262  0.1075  0.6978  1
  O  O232  1  0.9267  0.4442  0.3636  1
  O  O233  1  0.9271  0.0884  0.4108  1
]