data_[Na42Zn18Si15Sn6S21O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1663]
_cell_length_b [15.7911]
_cell_length_c [22.1447]
_cell_angle_alpha [89.6910]
_cell_angle_beta [89.9973]
_cell_angle_gamma [89.7893]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na14Zn6Si5Sn2S7O48]
_chemical_formula_sum '[Na42 Zn18 Si15 Sn6 S21 O144]'
_cell_volume [3205.2752]
_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  0.0050  0.6698  0.6592  1
  Na  Na1  1  0.0051  0.6682  0.1620  1
  Na  Na2  1  0.0087  0.3410  0.8299  1
  Na  Na3  1  0.0088  0.0058  0.9958  1
  Na  Na4  1  0.0198  0.0022  0.4988  1
  Na  Na5  1  0.1294  0.1599  0.4340  1
  Na  Na6  1  0.1601  0.8254  0.0732  1
  Na  Na7  1  0.1719  0.4808  0.4291  1
  Na  Na8  1  0.1815  0.5115  0.0642  1
  Na  Na9  1  0.1851  0.1781  0.7426  1
  Na  Na10  1  0.1895  0.8522  0.4277  1
  Na  Na11  1  0.1963  0.1613  0.0731  1
  Na  Na12  1  0.3043  0.6696  0.5816  1
  Na  Na13  1  0.3115  0.3523  0.9261  1
  Na  Na14  1  0.3212  0.9775  0.9141  1
  Na  Na15  1  0.3216  0.0129  0.5710  1
  Na  Na16  1  0.3269  0.6907  0.2473  1
  Na  Na17  1  0.3402  0.3229  0.5807  1
  Na  Na18  1  0.3728  0.6641  0.9311  1
  Na  Na19  1  0.4823  0.5031  0.9951  1
  Na  Na20  1  0.4858  0.1595  0.6674  1
  Na  Na21  1  0.4900  0.5080  0.5021  1
  Na  Na22  1  0.4934  0.8258  0.8264  1
  Na  Na23  1  0.4944  0.8449  0.3319  1
  Na  Na24  1  0.4960  0.1659  0.1572  1
  Na  Na25  1  0.6200  0.6727  0.4231  1
  Na  Na26  1  0.6363  0.3199  0.0815  1
  Na  Na27  1  0.6368  0.0040  0.7430  1
  Na  Na28  1  0.6599  0.0193  0.0824  1
  Na  Na29  1  0.6708  0.6594  0.0652  1
  Na  Na30  1  0.6771  0.9859  0.4264  1
  Na  Na31  1  0.6936  0.3443  0.4198  1
  Na  Na32  1  0.6946  0.3109  0.7502  1
  Na  Na33  1  0.8030  0.8480  0.9112  1
  Na  Na34  1  0.8048  0.8114  0.2492  1
  Na  Na35  1  0.8218  0.4850  0.9215  1
  Na  Na36  1  0.8236  0.1551  0.5711  1
  Na  Na37  1  0.8386  0.5219  0.5892  1
  Na  Na38  1  0.8588  0.8233  0.5892  1
  Na  Na39  1  0.8618  0.5026  0.2436  1
  Na  Na40  1  0.8778  0.1672  0.9150  1
  Na  Na41  1  0.9946  0.3150  0.3320  1
  Zn  Zn42  1  0.0032  0.0105  0.3581  1
  Zn  Zn43  1  0.0073  0.3248  0.4929  1
  Zn  Zn44  1  0.0102  0.6584  0.0083  1
  Zn  Zn45  1  0.0132  0.3128  0.1643  1
  Zn  Zn46  1  0.0162  0.3237  0.6754  1
  Zn  Zn47  1  0.0267  0.3324  0.9906  1
  Zn  Zn48  1  0.0277  0.0098  0.8260  1
  Zn  Zn49  1  0.4753  0.8355  0.4958  1
  Zn  Zn50  1  0.4776  0.8311  0.6797  1
  Zn  Zn51  1  0.4875  0.8242  0.1735  1
  Zn  Zn52  1  0.4882  0.8252  0.9902  1
  Zn  Zn53  1  0.4901  0.1568  0.5096  1
  Zn  Zn54  1  0.4966  0.5102  0.8576  1
  Zn  Zn55  1  0.4972  0.5069  0.3399  1
  Zn  Zn56  1  0.4987  0.1643  0.0225  1
  Zn  Zn57  1  0.5133  0.1566  0.8112  1
  Zn  Zn58  1  0.9820  0.6637  0.3164  1
  Zn  Zn59  1  0.9935  0.6656  0.5252  1
  Si  Si60  1  0.1431  0.4758  0.5823  1
  Si  Si61  1  0.1456  0.5111  0.9158  1
  Si  Si62  1  0.1640  0.1789  0.5844  1
  Si  Si63  1  0.1897  0.8357  0.5835  1
  Si  Si64  1  0.3072  0.3367  0.0856  1
  Si  Si65  1  0.3164  0.9937  0.7539  1
  Si  Si66  1  0.3366  0.6792  0.0862  1
  Si  Si67  1  0.3536  0.0108  0.4160  1
  Si  Si68  1  0.3559  0.9753  0.0820  1
  Si  Si69  1  0.6378  0.6910  0.5832  1
  Si  Si70  1  0.6492  0.6521  0.2515  1
  Si  Si71  1  0.7021  0.6723  0.9219  1
  Si  Si72  1  0.7973  0.1720  0.4220  1
  Si  Si73  1  0.8531  0.1860  0.0805  1
  Si  Si74  1  0.8551  0.1531  0.7502  1
  Sn  Sn75  1  0.0137  0.0072  0.1498  1
  Sn  Sn76  1  0.0154  0.0025  0.6528  1
  Sn  Sn77  1  0.4849  0.5083  0.6500  1
  Sn  Sn78  1  0.4970  0.5013  0.1512  1
  Sn  Sn79  1  0.5127  0.1631  0.3187  1
  Sn  Sn80  1  0.9879  0.6640  0.8189  1
  S  S81  1  0.1386  0.8550  0.2539  1
  S  S82  1  0.1427  0.8160  0.9157  1
  S  S83  1  0.1651  0.1526  0.2539  1
  S  S84  1  0.1964  0.4995  0.2540  1
  S  S85  1  0.2096  0.1660  0.9149  1
  S  S86  1  0.2861  0.6615  0.4109  1
  S  S87  1  0.3330  0.6499  0.7547  1
  S  S88  1  0.3569  0.3200  0.4115  1
  S  S89  1  0.3601  0.3576  0.7535  1
  S  S90  1  0.6434  0.3468  0.2538  1
  S  S91  1  0.6459  0.3121  0.9143  1
  S  S92  1  0.6552  0.0164  0.9180  1
  S  S93  1  0.6580  0.9833  0.5862  1
  S  S94  1  0.6945  0.3388  0.5864  1
  S  S95  1  0.7127  0.0060  0.2519  1
  S  S96  1  0.7880  0.5059  0.7519  1
  S  S97  1  0.8057  0.8379  0.0879  1
  S  S98  1  0.8442  0.5167  0.4149  1
  S  S99  1  0.8468  0.4813  0.0889  1
  S  S100  1  0.8514  0.8137  0.4140  1
  S  S101  1  0.8623  0.8451  0.7540  1
  O  O102  1  0.0533  0.4312  0.6368  1
  O  O103  1  0.0587  0.5597  0.8584  1
  O  O104  1  0.0607  0.4192  0.9196  1
  O  O105  1  0.0656  0.8985  0.9132  1
  O  O106  1  0.0752  0.9171  0.5914  1
  O  O107  1  0.0758  0.7676  0.2509  1
  O  O108  1  0.0763  0.8963  0.1960  1
  O  O109  1  0.0786  0.0858  0.5870  1
  O  O110  1  0.0841  0.2204  0.5254  1
  O  O111  1  0.0842  0.7536  0.5756  1
  O  O112  1  0.0855  0.9017  0.3064  1
  O  O113  1  0.0899  0.5746  0.5771  1
  O  O114  1  0.0900  0.4298  0.2501  1
  O  O115  1  0.0938  0.2362  0.2506  1
  O  O116  1  0.0956  0.7737  0.9725  1
  O  O117  1  0.1081  0.7612  0.8618  1
  O  O118  1  0.1142  0.2434  0.9126  1
  O  O119  1  0.1157  0.0883  0.9176  1
  O  O120  1  0.1159  0.5825  0.2528  1
  O  O121  1  0.1165  0.1059  0.3072  1
  O  O122  1  0.1298  0.4203  0.5197  1
  O  O123  1  0.1307  0.5706  0.9748  1
  O  O124  1  0.1338  0.1040  0.1957  1
  O  O125  1  0.1455  0.2347  0.6455  1
  O  O126  1  0.1601  0.6678  0.0784  1
  O  O127  1  0.1684  0.6595  0.7539  1
  O  O128  1  0.1716  0.9787  0.0910  1
  O  O129  1  0.1770  0.9986  0.4086  1
  O  O130  1  0.1944  0.6624  0.3549  1
  O  O131  1  0.1953  0.6603  0.4658  1
  O  O132  1  0.1962  0.3302  0.4097  1
  O  O133  1  0.2003  0.3536  0.7513  1
  O  O134  1  0.2020  0.0105  0.6966  1
  O  O135  1  0.2062  0.3280  0.1450  1
  O  O136  1  0.2166  0.3649  0.0250  1
  O  O137  1  0.2242  0.9786  0.8163  1
  O  O138  1  0.2790  0.8648  0.5224  1
  O  O139  1  0.2858  0.4886  0.3091  1
  O  O140  1  0.2940  0.5046  0.1989  1
  O  O141  1  0.2969  0.8142  0.6384  1
  O  O142  1  0.2985  0.1663  0.9711  1
  O  O143  1  0.2987  0.8505  0.2525  1
  O  O144  1  0.3022  0.1672  0.8602  1
  O  O145  1  0.3033  0.8258  0.9131  1
  O  O146  1  0.3225  0.4982  0.9094  1
  O  O147  1  0.3274  0.4788  0.5904  1
  O  O148  1  0.3300  0.1620  0.2531  1
  O  O149  1  0.3415  0.1674  0.5775  1
  O  O150  1  0.3584  0.7328  0.1481  1
  O  O151  1  0.3614  0.6006  0.6965  1
  O  O152  1  0.3663  0.9199  0.0195  1
  O  O153  1  0.3669  0.0709  0.4748  1
  O  O154  1  0.3788  0.5816  0.4135  1
  O  O155  1  0.3804  0.6017  0.8079  1
  O  O156  1  0.3821  0.7372  0.4081  1
  O  O157  1  0.3914  0.2648  0.3576  1
  O  O158  1  0.4041  0.0852  0.7535  1
  O  O159  1  0.4044  0.7319  0.7522  1
  O  O160  1  0.4067  0.2520  0.0787  1
  O  O161  1  0.4078  0.0739  0.0770  1
  O  O162  1  0.4109  0.4058  0.8057  1
  O  O163  1  0.4113  0.2810  0.4679  1
  O  O164  1  0.4187  0.5840  0.0896  1
  O  O165  1  0.4216  0.7192  0.0281  1
  O  O166  1  0.4230  0.3984  0.6952  1
  O  O167  1  0.4249  0.4168  0.0924  1
  O  O168  1  0.4250  0.2713  0.7513  1
  O  O169  1  0.4297  0.4047  0.4066  1
  O  O170  1  0.4332  0.9166  0.7447  1
  O  O171  1  0.4384  0.9189  0.4203  1
  O  O172  1  0.4402  0.0587  0.3576  1
  O  O173  1  0.4457  0.9321  0.1374  1
  O  O174  1  0.5565  0.5936  0.5903  1
  O  O175  1  0.5589  0.7247  0.5200  1
  O  O176  1  0.5738  0.2601  0.2515  1
  O  O177  1  0.5750  0.7463  0.2420  1
  O  O178  1  0.5766  0.6119  0.3126  1
  O  O179  1  0.5833  0.4003  0.9130  1
  O  O180  1  0.5834  0.9316  0.9199  1
  O  O181  1  0.5875  0.2715  0.9698  1
  O  O182  1  0.5887  0.3897  0.1971  1
  O  O183  1  0.5927  0.7552  0.9243  1
  O  O184  1  0.5929  0.2668  0.5821  1
  O  O185  1  0.5968  0.0707  0.5850  1
  O  O186  1  0.5970  0.3946  0.3079  1
  O  O187  1  0.6045  0.2638  0.8592  1
  O  O188  1  0.6045  0.0585  0.8615  1
  O  O189  1  0.6047  0.4211  0.5895  1
  O  O190  1  0.6061  0.9406  0.6410  1
  O  O191  1  0.6076  0.5840  0.9159  1
  O  O192  1  0.6138  0.7540  0.6391  1
  O  O193  1  0.6182  0.0678  0.9718  1
  O  O194  1  0.6194  0.0853  0.2491  1
  O  O195  1  0.6210  0.9360  0.5301  1
  O  O196  1  0.6236  0.9291  0.2512  1
  O  O197  1  0.6238  0.5824  0.1948  1
  O  O198  1  0.6774  0.1644  0.7502  1
  O  O199  1  0.6805  0.4860  0.0875  1
  O  O200  1  0.6807  0.1652  0.0734  1
  O  O201  1  0.6808  0.5061  0.4144  1
  O  O202  1  0.6896  0.8214  0.4164  1
  O  O203  1  0.6912  0.1625  0.4807  1
  O  O204  1  0.6929  0.1966  0.3615  1
  O  O205  1  0.6930  0.5053  0.8055  1
  O  O206  1  0.6971  0.5111  0.6939  1
  O  O207  1  0.7041  0.8341  0.7540  1
  O  O208  1  0.7153  0.8487  0.0333  1
  O  O209  1  0.7184  0.8282  0.1437  1
  O  O210  1  0.7837  0.3505  0.5308  1
  O  O211  1  0.7838  0.3287  0.6412  1
  O  O212  1  0.8027  0.0105  0.1937  1
  O  O213  1  0.8040  0.3418  0.2534  1
  O  O214  1  0.8078  0.6601  0.9809  1
  O  O215  1  0.8078  0.6962  0.8623  1
  O  O216  1  0.8081  0.3185  0.9153  1
  O  O217  1  0.8082  0.0053  0.3052  1
  O  O218  1  0.8121  0.6690  0.5777  1
  O  O219  1  0.8172  0.0047  0.9176  1
  O  O220  1  0.8229  0.9888  0.5860  1
  O  O221  1  0.8296  0.6589  0.2514  1
  O  O222  1  0.8583  0.2465  0.1399  1
  O  O223  1  0.8763  0.4285  0.7509  1
  O  O224  1  0.8809  0.0843  0.6933  1
  O  O225  1  0.8810  0.5847  0.7494  1
  O  O226  1  0.8813  0.5694  0.4673  1
  O  O227  1  0.8859  0.4342  0.0338  1
  O  O228  1  0.8866  0.7679  0.3563  1
  O  O229  1  0.8907  0.0833  0.4158  1
  O  O230  1  0.8961  0.5561  0.3570  1
  O  O231  1  0.8961  0.9193  0.0906  1
  O  O232  1  0.8967  0.4380  0.1450  1
  O  O233  1  0.9044  0.5688  0.0889  1
  O  O234  1  0.9063  0.8941  0.8079  1
  O  O235  1  0.9064  0.2548  0.4241  1
  O  O236  1  0.9074  0.7651  0.0841  1
  O  O237  1  0.9125  0.7682  0.4664  1
  O  O238  1  0.9132  0.8882  0.6970  1
  O  O239  1  0.9140  0.4313  0.4178  1
  O  O240  1  0.9160  0.9006  0.4135  1
  O  O241  1  0.9199  0.1103  0.8125  1
  O  O242  1  0.9342  0.2463  0.7424  1
  O  O243  1  0.9397  0.0913  0.0894  1
  O  O244  1  0.9400  0.7592  0.7519  1
  O  O245  1  0.9408  0.2254  0.0221  1
]