data_[Na30Ta12Zn12Si21S15O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  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 [9.1032]
_cell_length_b [15.5112]
_cell_length_c [22.4911]
_cell_angle_alpha [88.7383]
_cell_angle_beta [89.9159]
_cell_angle_gamma [89.9335]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Ta4Zn4Si7S5O48]
_chemical_formula_sum '[Na30 Ta12 Zn12 Si21 S15 O144]'
_cell_volume [3175.0173]
_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  0.0070  0.3422  0.3448  1
  Na  Na1  1  0.0133  0.0049  0.0101  1
  Na  Na2  1  0.1292  0.1709  0.9278  1
  Na  Na3  1  0.1297  0.5039  0.2601  1
  Na  Na4  1  0.1298  0.8385  0.5914  1
  Na  Na5  1  0.1682  0.8209  0.2479  1
  Na  Na6  1  0.2008  0.1777  0.2488  1
  Na  Na7  1  0.2074  0.5083  0.5852  1
  Na  Na8  1  0.2935  0.0107  0.0868  1
  Na  Na9  1  0.2984  0.6786  0.7482  1
  Na  Na10  1  0.3343  0.3200  0.7480  1
  Na  Na11  1  0.4782  0.8434  0.8405  1
  Na  Na12  1  0.4883  0.5086  0.5060  1
  Na  Na13  1  0.4930  0.1683  0.1733  1
  Na  Na14  1  0.4988  0.1631  0.6762  1
  Na  Na15  1  0.5006  0.5063  0.0117  1
  Na  Na16  1  0.5189  0.8457  0.3416  1
  Na  Na17  1  0.6296  0.3387  0.5916  1
  Na  Na18  1  0.6643  0.3225  0.2480  1
  Na  Na19  1  0.6677  0.9880  0.9153  1
  Na  Na20  1  0.7071  0.3449  0.9229  1
  Na  Na21  1  0.7079  0.0086  0.5852  1
  Na  Na22  1  0.7924  0.5097  0.0879  1
  Na  Na23  1  0.7952  0.1800  0.7542  1
  Na  Na24  1  0.8361  0.8212  0.7479  1
  Na  Na25  1  0.8704  0.8388  0.0934  1
  Na  Na26  1  0.9814  0.6695  0.1780  1
  Na  Na27  1  0.9878  0.3488  0.8416  1
  Na  Na28  1  0.9880  0.0088  0.5056  1
  Na  Na29  1  0.9992  0.6627  0.6753  1
  Ta  Ta30  1  0.0048  0.9942  0.8545  1
  Ta  Ta31  1  0.0085  0.6661  0.5195  1
  Ta  Ta32  1  0.4939  0.4953  0.3536  1
  Ta  Ta33  1  0.4992  0.1653  0.0212  1
  Ta  Ta34  1  0.5003  0.8333  0.6858  1
  Ta  Ta35  1  0.5027  0.8303  0.1879  1
  Ta  Ta36  1  0.5062  0.4971  0.8523  1
  Ta  Ta37  1  0.5095  0.1661  0.5196  1
  Ta  Ta38  1  0.9912  0.9927  0.3532  1
  Ta  Ta39  1  0.9923  0.6641  0.0225  1
  Ta  Ta40  1  0.9973  0.3307  0.1851  1
  Ta  Ta41  1  1.0000  0.3326  0.6865  1
  Zn  Zn42  1  0.0131  0.6572  0.8146  1
  Zn  Zn43  1  0.0199  0.9949  0.1500  1
  Zn  Zn44  1  0.0229  0.3324  0.4822  1
  Zn  Zn45  1  0.4741  0.8287  0.9841  1
  Zn  Zn46  1  0.4794  0.4954  0.6488  1
  Zn  Zn47  1  0.4880  0.1547  0.3148  1
  Zn  Zn48  1  0.5197  0.4928  0.1487  1
  Zn  Zn49  1  0.5221  0.1556  0.8170  1
  Zn  Zn50  1  0.5227  0.8320  0.4819  1
  Zn  Zn51  1  0.9760  0.6581  0.3147  1
  Zn  Zn52  1  0.9810  0.3277  0.9840  1
  Zn  Zn53  1  0.9814  0.9943  0.6493  1
  Si  Si54  1  0.1432  0.1862  0.0797  1
  Si  Si55  1  0.1433  0.5176  0.4129  1
  Si  Si56  1  0.1486  0.8527  0.7477  1
  Si  Si57  1  0.2033  0.5001  0.7485  1
  Si  Si58  1  0.2075  0.8319  0.0821  1
  Si  Si59  1  0.2939  0.3312  0.5812  1
  Si  Si60  1  0.2957  0.9995  0.2490  1
  Si  Si61  1  0.3533  0.3523  0.2484  1
  Si  Si62  1  0.3567  0.0168  0.9165  1
  Si  Si63  1  0.3652  0.6883  0.5790  1
  Si  Si64  1  0.6336  0.6888  0.0789  1
  Si  Si65  1  0.6434  0.0164  0.4146  1
  Si  Si66  1  0.6474  0.3533  0.7467  1
  Si  Si67  1  0.7008  0.3318  0.0803  1
  Si  Si68  1  0.7030  0.9992  0.7485  1
  Si  Si69  1  0.7934  0.5018  0.2475  1
  Si  Si70  1  0.7944  0.8312  0.5812  1
  Si  Si71  1  0.7958  0.1666  0.9137  1
  Si  Si72  1  0.8523  0.8507  0.2472  1
  Si  Si73  1  0.8565  0.5207  0.9145  1
  Si  Si74  1  0.8655  0.1883  0.5791  1
  S  S75  1  0.1438  0.1441  0.7488  1
  S  S76  1  0.1465  0.8129  0.4144  1
  S  S77  1  0.1470  0.4780  0.0816  1
  S  S78  1  0.2074  0.1642  0.4151  1
  S  S79  1  0.2929  0.6648  0.9147  1
  S  S80  1  0.3547  0.9803  0.5817  1
  S  S81  1  0.3561  0.3143  0.9147  1
  S  S82  1  0.3617  0.6449  0.2487  1
  S  S83  1  0.6437  0.6450  0.7479  1
  S  S84  1  0.6448  0.9797  0.0821  1
  S  S85  1  0.6461  0.3135  0.4141  1
  S  S86  1  0.7081  0.6642  0.4161  1
  S  S87  1  0.8552  0.4800  0.5817  1
  S  S88  1  0.8558  0.8111  0.9148  1
  S  S89  1  0.8561  0.1440  0.2487  1
  O  O90  1  0.0598  0.2308  0.7458  1
  O  O91  1  0.0638  0.5654  0.0780  1
  O  O92  1  0.0660  0.9002  0.4131  1
  O  O93  1  0.0710  0.7592  0.7586  1
  O  O94  1  0.0714  0.4238  0.4204  1
  O  O95  1  0.0719  0.4377  0.1374  1
  O  O96  1  0.0748  0.7693  0.4701  1
  O  O97  1  0.0748  0.1031  0.8046  1
  O  O98  1  0.0757  0.0908  0.0874  1
  O  O99  1  0.0822  0.8943  0.6879  1
  O  O100  1  0.0868  0.9083  0.0873  1
  O  O101  1  0.0911  0.5674  0.3536  1
  O  O102  1  0.0933  0.2333  0.0194  1
  O  O103  1  0.1005  0.5834  0.7536  1
  O  O104  1  0.1039  0.5813  0.4728  1
  O  O105  1  0.1077  0.2373  0.4216  1
  O  O106  1  0.1081  0.7413  0.0727  1
  O  O107  1  0.1087  0.2490  0.1399  1
  O  O108  1  0.1104  0.4068  0.7445  1
  O  O109  1  0.1113  0.9172  0.8056  1
  O  O110  1  0.1116  0.7644  0.3618  1
  O  O111  1  0.1165  0.0936  0.6967  1
  O  O112  1  0.1168  0.4281  0.0295  1
  O  O113  1  0.1197  0.0813  0.4132  1
  O  O114  1  0.1693  0.3449  0.2436  1
  O  O115  1  0.1706  0.0128  0.9096  1
  O  O116  1  0.1719  0.6798  0.5737  1
  O  O117  1  0.1738  0.9851  0.3062  1
  O  O118  1  0.1835  0.3183  0.6432  1
  O  O119  1  0.1881  0.3610  0.5291  1
  O  O120  1  0.1915  0.6534  0.9676  1
  O  O121  1  0.2001  0.9945  0.5931  1
  O  O122  1  0.2007  0.3294  0.9240  1
  O  O123  1  0.2023  0.0184  0.1896  1
  O  O124  1  0.2047  0.6624  0.2565  1
  O  O125  1  0.2094  0.6784  0.8593  1
  O  O126  1  0.2912  0.1779  0.3597  1
  O  O127  1  0.2969  0.5182  0.6891  1
  O  O128  1  0.2983  0.1651  0.7573  1
  O  O129  1  0.3003  0.4954  0.0917  1
  O  O130  1  0.3014  0.8265  0.4231  1
  O  O131  1  0.3078  0.8621  0.0277  1
  O  O132  1  0.3119  0.1547  0.4678  1
  O  O133  1  0.3167  0.8180  0.1429  1
  O  O134  1  0.3249  0.4863  0.8059  1
  O  O135  1  0.3301  0.1759  0.0758  1
  O  O136  1  0.3311  0.8403  0.7437  1
  O  O137  1  0.3324  0.5141  0.4093  1
  O  O138  1  0.3775  0.9290  0.5294  1
  O  O139  1  0.3820  0.2664  0.8604  1
  O  O140  1  0.3827  0.4185  0.3080  1
  O  O141  1  0.3827  0.5819  0.9114  1
  O  O142  1  0.3833  0.0802  0.9765  1
  O  O143  1  0.3852  0.7505  0.6407  1
  O  O144  1  0.3865  0.5933  0.1964  1
  O  O145  1  0.3895  0.9065  0.2441  1
  O  O146  1  0.3927  0.7378  0.9207  1
  O  O147  1  0.3930  0.2408  0.5736  1
  O  O148  1  0.3985  0.0830  0.2538  1
  O  O149  1  0.4124  0.7422  0.5223  1
  O  O150  1  0.4128  0.4084  0.5868  1
  O  O151  1  0.4206  0.0674  0.8599  1
  O  O152  1  0.4229  0.5913  0.5867  1
  O  O153  1  0.4239  0.4006  0.1930  1
  O  O154  1  0.4272  0.6026  0.3041  1
  O  O155  1  0.4282  0.2590  0.2597  1
  O  O156  1  0.4293  0.2699  0.9678  1
  O  O157  1  0.4310  0.9376  0.6365  1
  O  O158  1  0.4354  0.0664  0.5781  1
  O  O159  1  0.4385  0.4009  0.9123  1
  O  O160  1  0.4387  0.7319  0.2458  1
  O  O161  1  0.4397  0.9248  0.9226  1
  O  O162  1  0.5587  0.7309  0.7459  1
  O  O163  1  0.5616  0.0652  0.0798  1
  O  O164  1  0.5663  0.2609  0.7550  1
  O  O165  1  0.5667  0.4011  0.4131  1
  O  O166  1  0.5706  0.9350  0.1352  1
  O  O167  1  0.5724  0.9224  0.4214  1
  O  O168  1  0.5746  0.6027  0.8032  1
  O  O169  1  0.5752  0.5925  0.0869  1
  O  O170  1  0.5754  0.2694  0.4696  1
  O  O171  1  0.5841  0.3996  0.6882  1
  O  O172  1  0.5882  0.0704  0.3588  1
  O  O173  1  0.5915  0.7404  0.0202  1
  O  O174  1  0.5936  0.4129  0.0862  1
  O  O175  1  0.5971  0.0812  0.7528  1
  O  O176  1  0.6064  0.2402  0.0749  1
  O  O177  1  0.6068  0.0796  0.4757  1
  O  O178  1  0.6077  0.7367  0.4221  1
  O  O179  1  0.6095  0.9057  0.7442  1
  O  O180  1  0.6109  0.2661  0.3610  1
  O  O181  1  0.6122  0.4166  0.8070  1
  O  O182  1  0.6130  0.7529  0.1384  1
  O  O183  1  0.6167  0.5948  0.6957  1
  O  O184  1  0.6207  0.5809  0.4132  1
  O  O185  1  0.6237  0.9321  0.0276  1
  O  O186  1  0.6667  0.5122  0.9090  1
  O  O187  1  0.6703  0.8439  0.2423  1
  O  O188  1  0.6719  0.1806  0.5739  1
  O  O189  1  0.6747  0.4863  0.3054  1
  O  O190  1  0.6748  0.1505  0.9703  1
  O  O191  1  0.6840  0.8179  0.6432  1
  O  O192  1  0.6876  0.8606  0.5294  1
  O  O193  1  0.7004  0.8287  0.9216  1
  O  O194  1  0.7006  0.4948  0.5927  1
  O  O195  1  0.7019  0.1663  0.2565  1
  O  O196  1  0.7026  0.1900  0.8551  1
  O  O197  1  0.7067  0.5153  0.1868  1
  O  O198  1  0.7951  0.6783  0.3621  1
  O  O199  1  0.7981  0.6660  0.7561  1
  O  O200  1  0.7993  0.3530  0.0229  1
  O  O201  1  0.7996  0.0164  0.6900  1
  O  O202  1  0.8001  0.9943  0.0927  1
  O  O203  1  0.8014  0.3266  0.4226  1
  O  O204  1  0.8095  0.6536  0.4698  1
  O  O205  1  0.8175  0.3198  0.1407  1
  O  O206  1  0.8190  0.9830  0.8078  1
  O  O207  1  0.8286  0.6806  0.0747  1
  O  O208  1  0.8300  0.3418  0.7432  1
  O  O209  1  0.8324  0.0123  0.4095  1
  O  O210  1  0.8780  0.4290  0.5292  1
  O  O211  1  0.8830  0.0944  0.1959  1
  O  O212  1  0.8859  0.2509  0.6406  1
  O  O213  1  0.8869  0.9169  0.3058  1
  O  O214  1  0.8891  0.7642  0.8611  1
  O  O215  1  0.8910  0.0735  0.9090  1
  O  O216  1  0.8921  0.4070  0.2439  1
  O  O217  1  0.8935  0.5810  0.9752  1
  O  O218  1  0.8935  0.7407  0.5737  1
  O  O219  1  0.9118  0.5722  0.8577  1
  O  O220  1  0.9125  0.2421  0.5222  1
  O  O221  1  0.9130  0.9085  0.5868  1
  O  O222  1  0.9131  0.2437  0.9190  1
  O  O223  1  0.9160  0.5760  0.2524  1
  O  O224  1  0.9188  0.4242  0.9212  1
  O  O225  1  0.9189  0.8943  0.1878  1
  O  O226  1  0.9229  0.0912  0.5870  1
  O  O227  1  0.9234  0.7680  0.9697  1
  O  O228  1  0.9262  0.1025  0.3034  1
  O  O229  1  0.9311  0.4376  0.6365  1
  O  O230  1  0.9345  0.8993  0.9137  1
  O  O231  1  0.9366  0.5662  0.5779  1
  O  O232  1  0.9380  0.7608  0.2594  1
  O  O233  1  0.9405  0.2311  0.2458  1
]